 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer07_LCPBE_augccpVDZ.in
 Output=26_junionone_conformer07_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/26_junionone/Gau-21981.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/26_junionone/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     21982.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 6-Oct-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=48GB
 %chk=26_junionone_conformer07_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=030000000
 0,3/108=0300000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=300000000,108=300000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Oct  6 12:52:47 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "26_junionone_conformer07_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.753212000000      0.261201000000      1.693960000000
  C                                                -1.991275000000      0.379275000000      0.192703000000
  C                                                -0.849009000000     -0.284062000000     -0.673672000000
  C                                                 0.523957000000     -0.362760000000     -0.129190000000
  C                                                 1.600074000000      0.202273000000     -0.683932000000
  C                                                 2.971335000000      0.145334000000     -0.139740000000
  O                                                 3.879212000000      0.705568000000     -0.725256000000
  C                                                -2.328795000000      1.809261000000     -0.188051000000
  C                                                -2.945679000000     -0.733150000000     -0.326549000000
  C                                                -1.715204000000     -1.570236000000     -0.737989000000
  C                                                 3.228267000000     -0.612295000000      1.146957000000
  H                                                -3.520012000000     -0.399442000000     -1.191692000000
  H                                                -3.631250000000     -1.169043000000      0.400509000000
  H                                                -0.830366000000      0.203561000000     -1.650261000000
  H                                                -1.427501000000     -2.287210000000      0.031723000000
  H                                                -1.746461000000     -2.086631000000     -1.696096000000
  H                                                -1.522157000000     -0.762423000000      1.994493000000
  H                                                -2.649402000000      0.568790000000      2.237355000000
  H                                                -0.929068000000      0.901723000000      2.015625000000
  H                                                -2.519952000000      1.897738000000     -1.259237000000
  H                                                -1.507307000000      2.484467000000      0.065367000000
  H                                                -3.220245000000      2.153813000000      0.342854000000
  H                                                 0.639748000000     -0.919587000000      0.795696000000
  H                                                 1.514703000000      0.761846000000     -1.609834000000
  H                                                 2.945548000000     -1.661881000000      1.042967000000
  H                                                 2.641207000000     -0.194560000000      1.967518000000
  H                                                 4.286065000000     -0.544744000000      1.388076000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Wed Oct  6 12:52:47 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524594   0.000000
     3  C    2.592407   1.579681   0.000000
     4  C    2.983069   2.642087   1.479084   0.000000
     5  C    4.111249   3.701028   2.496925   1.336050   0.000000
     6  C    5.069243   4.979231   3.881300   2.499586   1.476396
     7  O    6.146077   5.950776   4.830953   3.571324   2.334413
     8  C    2.503947   1.517812   2.609137   3.585991   4.273678
     9  C    2.548170   1.554992   2.172142   3.494927   4.654741
    10  C    3.044665   2.177842   1.551990   2.615813   3.759758
    11  C    5.086978   5.397910   4.477344   3.000685   2.581993
    12  H    3.447466   2.204538   2.723218   4.181380   5.180267
    13  H    2.691773   2.264948   3.110936   4.265726   5.515729
    14  H    3.469695   2.185201   1.091719   2.113899   2.615498
    15  H    3.059987   2.730183   2.201099   2.745467   3.984457
    16  H    4.123693   3.115797   2.258324   3.252956   4.178858
    17  H    1.091564   2.184031   2.793038   2.975961   4.225272
    18  H    1.092266   2.156304   3.527442   4.066759   5.169748
    19  H    1.092223   2.173541   2.940206   2.882782   3.764757
    20  H    3.462299   2.166416   2.809838   3.956291   4.492237
    21  H    2.766893   2.163856   2.940117   3.502940   3.927553
    22  H    2.749482   2.163769   3.549552   4.535969   5.300780
    23  H    2.815563   2.995484   2.186168   1.085761   2.090477
    24  H    4.673860   3.960730   2.749083   2.106804   1.085221
    25  H    5.118631   5.409389   4.386787   2.987603   2.875335
    26  H    4.426451   4.993911   4.377842   2.984497   2.876043
    27  H    6.100490   6.456603   5.539652   4.060624   3.473586
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216935   0.000000
     8  C    5.555391   6.328197   0.000000
     9  C    5.984788   6.986273   2.619844   0.000000
    10  C    5.026403   6.039614   3.478495   1.544042   0.000000
    11  C    1.515125   2.380268   6.207022   6.348499   5.376670
    12  H    6.598558   7.495807   2.702714   1.090730   2.198622
    13  H    6.753783   7.822311   3.303496   1.090240   2.264590
    14  H    4.091209   4.825740   2.638488   2.665369   2.182094
    15  H    5.029555   6.139295   4.200203   2.201891   1.090542
    16  H    5.446238   6.355085   4.217972   2.268412   1.088857
    17  H    5.056723   6.223088   3.468101   2.722959   2.855921
    18  H    6.117400   7.170675   2.743019   2.890749   3.781644
    19  H    4.520052   5.538092   2.763883   3.496471   3.782986
    20  H    5.871833   6.531134   1.091700   2.823601   3.598078
    21  H    5.056861   5.727491   1.093145   3.546205   4.138746
    22  H    6.527063   7.323972   1.093279   2.976246   4.159557
    23  H    2.728625   3.930464   4.150496   3.761579   2.884672
    24  H    2.159407   2.525183   4.229778   4.876150   4.078115
    25  H    2.159974   3.098896   6.432956   6.119205   4.990272
    26  H    2.159872   3.097405   5.776045   6.063507   5.309479
    27  H    2.130480   2.488972   7.195963   7.434619   6.448800
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.145198   0.000000
    13  H    6.922436   1.771938   0.000000
    14  H    4.996254   2.794297   3.732914   0.000000
    15  H    5.072008   3.072298   2.498562   3.064242   0.000000
    16  H    5.916463   2.499303   2.964819   2.467045   1.768425
    17  H    4.827772   3.778221   2.674771   3.833527   2.487248
    18  H    6.093515   3.667942   2.712580   4.307649   3.809802
    19  H    4.508910   4.323529   3.768084   3.733081   3.788614
    20  H    6.718040   2.506336   3.659902   2.424425   4.513736
    21  H    5.760680   3.734717   4.239291   2.933285   4.772463
    22  H    7.062665   2.993961   3.348675   3.672535   4.799314
    23  H    2.630255   4.639382   4.296490   3.066823   2.593755
    24  H    3.524835   5.183801   5.852405   2.410947   4.544009
    25  H    1.091959   6.956358   6.626456   4.999088   4.531800
    26  H    1.091999   6.926991   6.538261   5.029776   4.967985
    27  H    1.087032   8.222600   8.003057   5.997443   6.125416
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.927377   0.000000
    18  H    4.831004   1.761190   0.000000
    19  H    4.834797   1.766800   1.766227   0.000000
    20  H    4.082197   4.319585   3.742862   3.774610   0.000000
    21  H    4.904578   3.776777   3.113155   2.577391   1.767562
    22  H    4.930590   3.757106   2.535211   3.100868   1.767111
    23  H    3.642116   2.477024   3.887435   2.695660   4.705717
    24  H    4.330872   4.953492   5.672557   4.374418   4.206140
    25  H    5.449571   4.655622   6.140515   4.746660   6.916843
    26  H    6.021099   4.201999   5.352201   3.735106   6.436398
    27  H    6.948446   5.843849   7.075446   5.448275   7.700380
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766490   0.000000
    23  H    4.090331   4.954836   0.000000
    24  H    3.860863   5.307570   3.062570   0.000000
    25  H    6.162453   7.284688   2.434924   3.867703   0.000000
    26  H    5.292025   6.520047   2.429952   3.870552   1.760809
    27  H    6.669995   8.044836   3.713092   4.286617   1.778786
                   26         27
    26  H    0.000000
    27  H    1.778747   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1384318           0.4996663           0.4923175
 Leave Link  202 at Wed Oct  6 12:52:47 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       608.1382990542 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Oct  6 12:52:49 2021, MaxMem=  6442450944 cpu:              13.7 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.58D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Wed Oct  6 12:52:50 2021, MaxMem=  6442450944 cpu:               5.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Oct  6 12:52:50 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer07_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Oct  6 12:52:51 2021, MaxMem=  6442450944 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442092371 LenY=  6441916369
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -464.413925014987    
 DIIS: error= 2.64D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -464.413925014987     IErMin= 1 ErrMin= 2.64D-03
 ErrMax= 2.64D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-02 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.64D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.342 Goal=   None    Shift=    0.000
 GapD=    0.342 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.60D-02 MaxDP=4.18D+00              OVMax= 2.19D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.14D-02    CP:  1.46D+00
 E= -464.425955892467     Delta-E=       -0.012030877480 Rises=F Damp=F
 DIIS: error= 1.03D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -464.425955892467     IErMin= 2 ErrMin= 1.03D-03
 ErrMax= 1.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-03 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.03D-02
 Coeff-Com:  0.996D-01 0.900D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.985D-01 0.901D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=3.98D-03 MaxDP=7.23D-01 DE=-1.20D-02 OVMax= 1.66D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.29D-03    CP:  1.53D+00  1.14D+00
 E= -464.425833057075     Delta-E=        0.000122835392 Rises=F Damp=F
 DIIS: error= 1.21D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -464.425955892467     IErMin= 2 ErrMin= 1.03D-03
 ErrMax= 1.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-03 BMatP= 1.37D-03
 IDIUse=3 WtCom= 2.23D-01 WtEn= 7.77D-01
 Coeff-Com: -0.361D-01 0.554D+00 0.482D+00
 Coeff-En:   0.000D+00 0.524D+00 0.476D+00
 Coeff:     -0.806D-02 0.531D+00 0.477D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.72D-04 MaxDP=1.24D-01 DE= 1.23D-04 OVMax= 8.36D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.85D-04    CP:  1.55D+00  1.16D+00  1.03D+00
 E= -464.427185682581     Delta-E=       -0.001352625506 Rises=F Damp=F
 DIIS: error= 1.58D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -464.427185682581     IErMin= 4 ErrMin= 1.58D-04
 ErrMax= 1.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-05 BMatP= 1.37D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.58D-03
 Coeff-Com: -0.861D-02 0.128D-01 0.104D+00 0.892D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.860D-02 0.128D-01 0.103D+00 0.892D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=3.57D-04 MaxDP=5.78D-02 DE=-1.35D-03 OVMax= 1.42D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.06D-04    CP:  1.55D+00  1.18D+00  1.12D+00  1.11D+00
 E= -464.427212008854     Delta-E=       -0.000026326273 Rises=F Damp=F
 DIIS: error= 6.15D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -464.427212008854     IErMin= 5 ErrMin= 6.15D-05
 ErrMax= 6.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.21D-06 BMatP= 2.73D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.612D-03-0.690D-01-0.170D-01 0.387D+00 0.699D+00
 Coeff:      0.612D-03-0.690D-01-0.170D-01 0.387D+00 0.699D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=5.91D-05 MaxDP=6.38D-03 DE=-2.63D-05 OVMax= 5.77D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.40D-05    CP:  1.55D+00  1.18D+00  1.15D+00  1.17D+00  1.05D+00
 E= -464.427216901577     Delta-E=       -0.000004892723 Rises=F Damp=F
 DIIS: error= 1.28D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -464.427216901577     IErMin= 6 ErrMin= 1.28D-05
 ErrMax= 1.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-07 BMatP= 4.21D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.843D-03-0.206D-01-0.113D-01 0.499D-01 0.182D+00 0.799D+00
 Coeff:      0.843D-03-0.206D-01-0.113D-01 0.499D-01 0.182D+00 0.799D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.66D-05 MaxDP=2.02D-03 DE=-4.89D-06 OVMax= 3.08D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.88D-06    CP:  1.55D+00  1.18D+00  1.15D+00  1.18D+00  1.11D+00
                    CP:  1.09D+00
 E= -464.427217146997     Delta-E=       -0.000000245420 Rises=F Damp=F
 DIIS: error= 5.20D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -464.427217146997     IErMin= 7 ErrMin= 5.20D-06
 ErrMax= 5.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-08 BMatP= 1.52D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.223D-03 0.182D-02-0.151D-02-0.334D-01-0.293D-01 0.329D+00
 Coeff-Com:  0.733D+00
 Coeff:      0.223D-03 0.182D-02-0.151D-02-0.334D-01-0.293D-01 0.329D+00
 Coeff:      0.733D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.42D-06 MaxDP=1.19D-03 DE=-2.45D-07 OVMax= 9.26D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.45D-06    CP:  1.55D+00  1.18D+00  1.15D+00  1.18D+00  1.13D+00
                    CP:  1.15D+00  1.09D+00
 E= -464.427217203221     Delta-E=       -0.000000056224 Rises=F Damp=F
 DIIS: error= 1.63D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -464.427217203221     IErMin= 8 ErrMin= 1.63D-06
 ErrMax= 1.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.19D-09 BMatP= 3.93D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.592D-04 0.287D-02 0.119D-02-0.138D-01-0.304D-01-0.103D-01
 Coeff-Com:  0.137D+00 0.913D+00
 Coeff:     -0.592D-04 0.287D-02 0.119D-02-0.138D-01-0.304D-01-0.103D-01
 Coeff:      0.137D+00 0.913D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.47D-06 MaxDP=3.72D-04 DE=-5.62D-08 OVMax= 6.69D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.03D-06    CP:  1.55D+00  1.18D+00  1.15D+00  1.18D+00  1.13D+00
                    CP:  1.17D+00  1.13D+00  1.10D+00
 E= -464.427217209384     Delta-E=       -0.000000006163 Rises=F Damp=F
 DIIS: error= 7.51D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -464.427217209384     IErMin= 9 ErrMin= 7.51D-07
 ErrMax= 7.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.06D-10 BMatP= 2.19D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.546D-04 0.103D-02 0.758D-03-0.223D-02-0.102D-01-0.440D-01
 Coeff-Com: -0.468D-01 0.418D+00 0.684D+00
 Coeff:     -0.546D-04 0.103D-02 0.758D-03-0.223D-02-0.102D-01-0.440D-01
 Coeff:     -0.468D-01 0.418D+00 0.684D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=4.86D-07 MaxDP=3.54D-05 DE=-6.16D-09 OVMax= 1.56D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.79D-07    CP:  1.55D+00  1.18D+00  1.15D+00  1.18D+00  1.13D+00
                    CP:  1.17D+00  1.13D+00  1.17D+00  1.01D+00
 E= -464.427217210546     Delta-E=       -0.000000001162 Rises=F Damp=F
 DIIS: error= 1.79D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -464.427217210546     IErMin=10 ErrMin= 1.79D-07
 ErrMax= 1.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-11 BMatP= 8.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.280D-05-0.331D-03-0.655D-04 0.188D-02 0.380D-02 0.291D-04
 Coeff-Com: -0.341D-01-0.772D-01 0.263D-01 0.108D+01
 Coeff:      0.280D-05-0.331D-03-0.655D-04 0.188D-02 0.380D-02 0.291D-04
 Coeff:     -0.341D-01-0.772D-01 0.263D-01 0.108D+01
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=5.71D-07 MaxDP=9.94D-05 DE=-1.16D-09 OVMax= 9.63D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.54D-07    CP:  1.55D+00  1.18D+00  1.15D+00  1.18D+00  1.13D+00
                    CP:  1.16D+00  1.12D+00  1.18D+00  1.07D+00  1.17D+00
 E= -464.427217210657     Delta-E=       -0.000000000111 Rises=F Damp=F
 DIIS: error= 3.95D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -464.427217210657     IErMin=11 ErrMin= 3.95D-08
 ErrMax= 3.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-12 BMatP= 3.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.408D-05-0.115D-03-0.514D-04 0.432D-03 0.117D-02 0.294D-02
 Coeff-Com: -0.496D-02-0.310D-01-0.425D-01 0.175D+00 0.899D+00
 Coeff:      0.408D-05-0.115D-03-0.514D-04 0.432D-03 0.117D-02 0.294D-02
 Coeff:     -0.496D-02-0.310D-01-0.425D-01 0.175D+00 0.899D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.27D-08 MaxDP=4.89D-06 DE=-1.11D-10 OVMax= 1.49D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.17D-08    CP:  1.55D+00  1.18D+00  1.15D+00  1.18D+00  1.13D+00
                    CP:  1.16D+00  1.12D+00  1.18D+00  1.07D+00  1.22D+00
                    CP:  1.19D+00
 E= -464.427217210690     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 1.60D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -464.427217210690     IErMin=12 ErrMin= 1.60D-08
 ErrMax= 1.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.96D-13 BMatP= 2.77D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.437D-06 0.114D-04-0.229D-05-0.119D-03-0.181D-03 0.819D-03
 Coeff-Com:  0.223D-02 0.328D-02-0.160D-01-0.839D-01 0.234D+00 0.859D+00
 Coeff:      0.437D-06 0.114D-04-0.229D-05-0.119D-03-0.181D-03 0.819D-03
 Coeff:      0.223D-02 0.328D-02-0.160D-01-0.839D-01 0.234D+00 0.859D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.26D-08 MaxDP=9.16D-07 DE=-3.27D-11 OVMax= 4.92D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.20D-08    CP:  1.55D+00  1.18D+00  1.15D+00  1.18D+00  1.13D+00
                    CP:  1.16D+00  1.12D+00  1.18D+00  1.07D+00  1.23D+00
                    CP:  1.28D+00  1.12D+00
 E= -464.427217210632     Delta-E=        0.000000000058 Rises=F Damp=F
 DIIS: error= 7.57D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -464.427217210690     IErMin=13 ErrMin= 7.57D-09
 ErrMax= 7.57D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.55D-14 BMatP= 3.96D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.234D-06 0.141D-04 0.453D-05-0.751D-04-0.165D-03-0.217D-04
 Coeff-Com:  0.102D-02 0.424D-02-0.134D-02-0.411D-01-0.173D-01 0.249D+00
 Coeff-Com:  0.805D+00
 Coeff:     -0.234D-06 0.141D-04 0.453D-05-0.751D-04-0.165D-03-0.217D-04
 Coeff:      0.102D-02 0.424D-02-0.134D-02-0.411D-01-0.173D-01 0.249D+00
 Coeff:      0.805D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.95D-09 MaxDP=1.00D-06 DE= 5.78D-11 OVMax= 1.12D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.04D-09    CP:  1.55D+00  1.18D+00  1.15D+00  1.18D+00  1.13D+00
                    CP:  1.16D+00  1.12D+00  1.18D+00  1.07D+00  1.23D+00
                    CP:  1.30D+00  1.18D+00  1.06D+00
 E= -464.427217210680     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 1.61D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -464.427217210690     IErMin=14 ErrMin= 1.61D-09
 ErrMax= 1.61D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-15 BMatP= 3.55D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.782D-07 0.240D-05 0.137D-05-0.894D-05-0.247D-04-0.668D-04
 Coeff-Com:  0.392D-04 0.777D-03 0.792D-03-0.234D-02-0.252D-01-0.136D-01
 Coeff-Com:  0.206D+00 0.834D+00
 Coeff:     -0.782D-07 0.240D-05 0.137D-05-0.894D-05-0.247D-04-0.668D-04
 Coeff:      0.392D-04 0.777D-03 0.792D-03-0.234D-02-0.252D-01-0.136D-01
 Coeff:      0.206D+00 0.834D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.11D-09 MaxDP=2.20D-07 DE=-4.82D-11 OVMax= 3.53D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -464.427217211     A.U. after   14 cycles
            NFock= 14  Conv=0.21D-08     -V/T= 2.0050
 KE= 4.621101553587D+02 PE=-2.296524354317D+03 EE= 7.618486826937D+02
 Leave Link  502 at Wed Oct  6 13:00:45 2021, MaxMem=  6442450944 cpu:            3787.3 elap:             474.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.90102034D+02

 Leave Link  801 at Wed Oct  6 13:00:46 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 5.18D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.80D-01 7.37D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 3.26D-02 8.25D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 6.22D-03 2.62D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 6.97D-04 6.01D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 6.15D-05 1.19D-03.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 2.53D-06 2.33D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 8.64D-08 5.07D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 2.79D-09 9.77D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 8.90D-11 1.95D-06.
      8 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 2.52D-12 3.36D-07.
      4 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 6.79D-14 4.83D-08.
      1 vectors produced by pass 12 Test12= 2.49D-13 8.33D-09 XBig12= 1.56D-14 8.42D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.47D-14
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.172243D+03
      2  0.819513D+01  0.112618D+03
      3 -0.405121D+01 -0.470849D+01  0.113836D+03
 Isotropic polarizability for W=    0.085645      132.90 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.774717D+02  0.487463D+02 -0.194609D+02
      2  -0.545063D+02 -0.348630D+02 -0.158131D+02
      3  -0.229654D+02 -0.138833D+02  0.352740D+02
      4   0.411815D+02 -0.876941D+02 -0.545635D+02
      5  -0.987749D+01 -0.571453D+02 -0.413289D+02
      6  -0.296743D+02  0.225931D+01  0.287528D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.681198D+01  0.107764D+02  0.300822D+01
      2   0.173200D+02 -0.167229D+02 -0.214841D+02
      3  -0.309008D+02  0.396431D+02  0.232519D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.258177D+01  0.180724D+02 -0.167586D+02
      2  -0.958342D+01 -0.248892D+02 -0.183635D+02
      3  -0.756477D+01  0.331878D+02  0.274710D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.261905D+01 -0.596298D+01  0.393273D+01
      2  -0.596298D+01  0.199766D+01 -0.268671D+01
      3   0.393273D+01 -0.268671D+01 -0.489971D+01
 OR G Eigenvalues:    -6.5843    -3.4877     9.7890  Iso=     0.0943
 Eigenvectors:
   (1)  -0.377849   0.027191   0.925468
   (2)   0.603300   0.765462   0.223825
   (3)   0.702324  -0.642907   0.305634
 w=    0.085645 a.u., Optical Rotation Beta=      0.0943 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       29.39 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.54D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.01D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.72D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.55D-02 4.50D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 3.83D-03 1.48D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 4.99D-05 1.25D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 1.22D-06 1.92D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 2.19D-08 2.24D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 2.51D-10 2.45D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 2.20D-12 2.06D-07.
     17 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.17D-14 1.28D-08.
      3 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 2.64D-15 4.41D-09.
      1 vectors produced by pass 10 Test12= 4.14D-14 2.78D-09 XBig12= 8.56D-16 3.02D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   261 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 5.80D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 5.80D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.89D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.172243D+03  0.819513D+01 -0.405121D+01
      2   0.819513D+01  0.112618D+03 -0.470849D+01
      3  -0.405121D+01 -0.470849D+01  0.113836D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.681198D+01  0.107764D+02  0.300822D+01
      2   0.173200D+02 -0.167229D+02 -0.214841D+02
      3  -0.309008D+02  0.396431D+02  0.232519D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.774717D+02  0.487463D+02 -0.194609D+02
      2  -0.545063D+02 -0.348630D+02 -0.158131D+02
      3  -0.229654D+02 -0.138833D+02  0.352740D+02
      4   0.411815D+02 -0.876941D+02 -0.545635D+02
      5  -0.987749D+01 -0.571453D+02 -0.413289D+02
      6  -0.296743D+02  0.225931D+01  0.287528D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.301842D+01 -0.319320D+01 -0.486117D+01 -0.376440D+01 -0.233345D+01
      2  -0.319320D+01 -0.226441D+01  0.192833D+00 -0.233345D+01  0.336722D+01
      3  -0.486117D+01  0.192833D+00  0.195568D+01  0.455691D+00 -0.308385D+01
                 6             7             8             9            10 
      1   0.455691D+00 -0.421395D+01  0.565173D+00  0.216632D+01 -0.201849D+02
      2  -0.308385D+01  0.565173D+00 -0.250805D+01 -0.128287D+01  0.460493D+01
      3  -0.921434D+00  0.216632D+01 -0.128287D+01  0.221196D+01  0.534835D+01
                11            12            13            14            15 
      1   0.460493D+01  0.534835D+01  0.701947D+01  0.260133D+00 -0.892514D+00
      2   0.182313D+01 -0.442038D-02  0.260133D+00 -0.621087D+00  0.241215D+01
      3  -0.442038D-02 -0.231145D+01 -0.892514D+00  0.241215D+01  0.179999D+01
                16            17            18            19            20 
      1   0.149320D+02 -0.767275D+00 -0.404633D+01  0.435665D+02  0.182783D+01
      2  -0.767275D+00  0.292869D+01  0.242467D+01  0.182783D+01  0.351457D+01
      3  -0.404633D+01  0.242467D+01 -0.311630D+01 -0.310007D+01  0.140526D+01
                21            22            23            24            25 
      1  -0.310007D+01 -0.280478D+01  0.676453D+01  0.365922D+01 -0.518309D+01
      2   0.140526D+01  0.676453D+01  0.148983D+01  0.640044D+00  0.289968D+01
      3   0.142907D+01  0.365922D+01  0.640044D+00 -0.386887D+01  0.266179D+01
                26            27            28            29            30 
      1   0.289968D+01  0.266179D+01 -0.609679D+02 -0.638117D+01  0.410598D+01
      2   0.402686D+00 -0.329172D+01 -0.638117D+01 -0.344441D+01 -0.456603D+00
      3  -0.329172D+01  0.285841D+01  0.410598D+01 -0.456603D+00 -0.224091D+01
                31            32            33            34            35 
      1  -0.134324D+02 -0.655019D+01 -0.723479D+00  0.799558D+01  0.129145D+00
      2  -0.655019D+01 -0.373315D+01 -0.118328D+01  0.129145D+00 -0.580704D+00
      3  -0.723479D+00 -0.118328D+01  0.198774D+01 -0.443979D+01  0.194476D+01
                36            37            38            39            40 
      1  -0.443979D+01  0.589433D+02  0.881851D+01 -0.525684D+01  0.143620D+02
      2   0.194476D+01  0.881851D+01  0.274569D+01  0.294207D+00  0.539336D+01
      3  -0.142927D+01 -0.525684D+01  0.294207D+00  0.938035D+00  0.958550D-01
                41            42            43            44            45 
      1   0.539336D+01  0.958550D-01 -0.705175D+01  0.237942D+00  0.346432D+01
      2   0.296155D+01  0.946435D+00  0.237942D+00  0.462059D+00 -0.284872D+01
      3   0.946435D+00 -0.305903D+01  0.346432D+01 -0.284872D+01  0.144384D+01
                46            47            48            49            50 
      1  -0.415044D+02 -0.867559D+01  0.500577D+01 -0.104316D+02 -0.277344D+01
      2  -0.867559D+01 -0.135686D+01  0.174402D+01 -0.277344D+01 -0.928585D+00
      3   0.500577D+01  0.174402D+01 -0.569694D+00  0.225385D+01 -0.211014D+00
                51            52            53            54            55 
      1   0.225385D+01  0.336626D+01  0.199950D+01 -0.162375D+01  0.337805D+02
      2  -0.211014D+00  0.199950D+01  0.402020D-02  0.119133D+01  0.682343D+01
      3   0.134844D+01 -0.162375D+01  0.119133D+01 -0.160524D+01 -0.488625D+01
                56            57            58            59            60 
      1   0.682343D+01 -0.488625D+01  0.159917D+02  0.718103D+01 -0.140838D+01
      2   0.255998D+01 -0.138964D+01  0.718103D+01  0.488408D+01 -0.194861D+01
      3  -0.138964D+01  0.241388D+01 -0.140838D+01 -0.194861D+01  0.722577D+00
                61            62            63            64            65 
      1  -0.172155D+02 -0.308483D+01  0.536474D+01  0.654923D+01 -0.454731D+01
      2  -0.308483D+01 -0.126164D+01  0.166946D+01 -0.454731D+01 -0.189223D+01
      3   0.536474D+01  0.166946D+01 -0.383360D+01 -0.301532D+01  0.466809D+00
                66            67            68            69            70 
      1  -0.301532D+01 -0.448413D+01 -0.160812D+01  0.647243D+00 -0.571250D+01
      2   0.466809D+00 -0.160812D+01  0.380944D+00 -0.212943D+01  0.768073D+00
      3   0.203620D+01  0.647243D+00 -0.212943D+01 -0.108788D+01  0.276507D+01
                71            72            73            74            75 
      1   0.768073D+00  0.276507D+01  0.961454D+00  0.950775D+00 -0.453023D+00
      2  -0.216894D+01 -0.212560D+01  0.950775D+00 -0.267506D+01 -0.290030D+01
      3  -0.212560D+01  0.563202D+01 -0.453023D+00 -0.290030D+01  0.223558D+01
                76            77            78            79            80 
      1   0.174933D+01 -0.282171D+01 -0.414273D+01 -0.111612D+01 -0.393375D+01
      2  -0.282171D+01 -0.216437D+01 -0.123798D+01 -0.393375D+01 -0.164949D+01
      3  -0.414273D+01 -0.123798D+01 -0.108760D+01  0.343257D+01 -0.714662D+00
                81            82            83            84            85 
      1   0.343257D+01 -0.748002D+01 -0.607991D+01 -0.184495D+01 -0.792693D+01
      2  -0.714662D+00 -0.607991D+01 -0.244575D+01  0.100177D+01 -0.431815D+01
      3   0.136061D+01 -0.184495D+01  0.100177D+01 -0.237423D-01  0.381392D+00
                86            87            88            89            90 
      1  -0.431815D+01  0.381392D+00  0.382478D+01  0.188578D+01 -0.181527D+00
      2   0.931229D+00  0.158036D-01  0.188578D+01  0.859920D+00  0.471204D+01
      3   0.158036D-01  0.345898D+01 -0.181527D+00  0.471204D+01  0.199263D+01
                91            92            93            94            95 
      1  -0.882253D+01 -0.675693D+00 -0.277969D+01 -0.236992D+01  0.138979D+01
      2  -0.675693D+00  0.222826D+01 -0.250075D+00  0.138979D+01  0.422439D+01
      3  -0.277969D+01 -0.250075D+00  0.284398D+01 -0.731890D+00 -0.514718D-01
                96            97            98            99           100 
      1  -0.731890D+00 -0.523144D+00 -0.533547D+00  0.282718D+01 -0.506151D+01
      2  -0.514718D-01 -0.533547D+00  0.490358D+00 -0.204194D+01  0.198879D+00
      3  -0.229582D+01  0.282718D+01 -0.204194D+01 -0.421996D+00 -0.249964D+01
               101           102           103           104           105 
      1   0.198879D+00 -0.249964D+01  0.153258D+01 -0.795929D+00  0.126893D+01
      2  -0.705948D+00  0.418760D+00 -0.795929D+00  0.943660D+00 -0.615833D+00
      3   0.418760D+00 -0.231419D+01  0.126893D+01 -0.615833D+00  0.121873D+01
               106           107           108           109           110 
      1  -0.423622D+01  0.778414D+00 -0.359641D+01 -0.690177D+01 -0.228081D+01
      2   0.778414D+00 -0.133394D+01  0.278490D+00 -0.228081D+01 -0.146546D+01
      3  -0.359641D+01  0.278490D+00 -0.443074D+01  0.203305D+01  0.935134D+00
               111           112           113           114           115 
      1   0.203305D+01 -0.255199D+01 -0.187703D+01  0.121919D+01  0.474352D+01
      2   0.935134D+00 -0.187703D+01 -0.186723D+01  0.907378D+00  0.191541D+01
      3  -0.186084D+01  0.121919D+01  0.907378D+00 -0.833177D+00 -0.301316D+01
               116           117           118           119           120 
      1   0.191541D+01 -0.301316D+01  0.451577D+00  0.592184D+00 -0.680601D+00
      2   0.181673D+01 -0.964964D+00  0.592184D+00 -0.244727D+00 -0.247623D+00
      3  -0.964964D+00  0.246073D+01 -0.680601D+00 -0.247623D+00  0.154011D-01
               121           122           123           124           125 
      1   0.199795D+01 -0.591665D+00 -0.537488D-01 -0.109361D+01  0.287397D-01
      2  -0.591665D+00  0.136052D+01 -0.132552D+01  0.287397D-01 -0.183020D+01
      3  -0.537488D-01 -0.132552D+01  0.216289D+01 -0.544768D+00  0.152049D+01
               126           127           128           129           130 
      1  -0.544768D+00  0.999003D+00 -0.336745D+00  0.650591D+00 -0.394974D+00
      2   0.152049D+01 -0.336745D+00  0.163097D+01 -0.488376D+00  0.642866D+00
      3  -0.587137D+01  0.650591D+00 -0.488376D+00  0.544271D+00 -0.335233D+00
               131           132           133           134           135 
      1   0.642866D+00 -0.335233D+00  0.144590D+01 -0.345050D+00  0.192384D+00
      2  -0.537861D+01  0.155051D+01 -0.345050D+00  0.338823D+01 -0.216215D+01
      3   0.155051D+01 -0.177082D+01  0.192384D+00 -0.216215D+01  0.208625D+01
               136           137           138           139           140 
      1   0.985731D+00 -0.289120D+00 -0.750870D+00  0.118322D+01 -0.359904D+00
      2  -0.289120D+00  0.212490D+00 -0.137354D+00 -0.359904D+00 -0.435904D+01
      3  -0.750870D+00 -0.137354D+00 -0.424071D-01 -0.557468D+00 -0.277452D+01
               141           142           143           144           145 
      1  -0.557468D+00 -0.218453D+01 -0.121522D+01 -0.951636D+00  0.611468D+00
      2  -0.277452D+01 -0.121522D+01 -0.459396D+01 -0.461309D+01 -0.559571D+00
      3  -0.274424D+01 -0.951636D+00 -0.461309D+01 -0.605164D+01  0.831630D+00
               146           147           148           149           150 
      1  -0.559571D+00  0.831630D+00 -0.102322D+01  0.870771D+00 -0.117663D+00
      2   0.912366D+00 -0.313855D+00  0.870771D+00 -0.532084D+01  0.226908D+01
      3  -0.313855D+00  0.397359D+00 -0.117663D+00  0.226908D+01 -0.301628D+01
               151           152           153           154           155 
      1   0.703057D+00 -0.232708D+00  0.726860D-01 -0.615715D+01  0.151271D+01
      2  -0.232708D+00  0.168362D+01 -0.140903D+01  0.151271D+01 -0.121285D+01
      3   0.726860D-01 -0.140903D+01  0.153031D+01  0.405464D+01 -0.910023D+00
               156           157           158           159           160 
      1   0.405464D+01  0.149684D+01 -0.953696D+00 -0.943247D+00  0.237422D+01
      2  -0.910023D+00 -0.953696D+00  0.736001D+00  0.133321D+01 -0.707119D+00
      3  -0.427789D+01 -0.943247D+00  0.133321D+01  0.150325D+01 -0.278624D+01
               161           162           163           164           165 
      1  -0.707119D+00 -0.278624D+01  0.366481D+01  0.164227D+01  0.162343D+01
      2   0.919488D+00  0.947765D+00  0.164227D+01  0.199177D+01  0.107887D+01
      3   0.947765D+00  0.366553D+01  0.162343D+01  0.107887D+01  0.240216D+01
               166           167           168           169           170 
      1   0.187285D+01  0.137756D+01  0.760115D+00  0.847114D+00  0.496809D+00
      2   0.137756D+01  0.214902D+01  0.168743D+01  0.496809D+00  0.101811D+01
      3   0.760115D+00  0.168743D+01  0.220277D+01  0.935830D+00  0.105476D+01
               171           172           173           174           175 
      1   0.935830D+00 -0.141349D+01  0.921147D+00 -0.832010D+00  0.489529D+00
      2   0.105476D+01  0.921147D+00 -0.220879D+00  0.273501D+00 -0.965677D-01
      3   0.183666D+01 -0.832010D+00  0.273501D+00 -0.118244D+01  0.204227D+00
               176           177           178           179           180 
      1  -0.965677D-01  0.204227D+00 -0.160695D+01  0.882078D+00 -0.200954D+01
      2   0.536658D+00 -0.896803D+00  0.882078D+00 -0.236941D+01  0.204670D+01
      3  -0.896803D+00  0.673731D+00 -0.200954D+01  0.204670D+01 -0.711955D+01
               181           182           183           184           185 
      1   0.242389D+01  0.192659D+01  0.733253D+00  0.168994D+01  0.159335D+01
      2   0.192659D+01  0.419196D+01  0.414941D+00  0.159335D+01  0.499634D+01
      3   0.733253D+00  0.414941D+00  0.920353D+00  0.269461D+00  0.760751D+00
               186           187           188           189           190 
      1   0.269461D+00  0.994464D+00  0.146295D+00  0.207258D+00 -0.725004D+01
      2   0.760751D+00  0.146295D+00  0.153869D+01  0.112008D+01  0.389844D+01
      3   0.967183D+00  0.207258D+00  0.112008D+01  0.226767D+00  0.206707D+01
               191           192           193           194           195 
      1   0.389844D+01  0.206707D+01  0.129110D+01 -0.201242D+01 -0.722240D+00
      2  -0.291845D+01 -0.902891D+00 -0.201242D+01  0.227164D+01  0.933910D+00
      3  -0.902891D+00 -0.188140D+01 -0.722240D+00  0.933910D+00  0.687400D+00
               196           197           198           199           200 
      1   0.360880D+01 -0.175922D+01 -0.203081D+01 -0.145024D+01 -0.905655D+00
      2  -0.175922D+01  0.219324D+01  0.129347D+01 -0.905655D+00 -0.253322D-01
      3  -0.203081D+01  0.129347D+01  0.132913D+01  0.113077D+01 -0.194933D+00
               201           202           203           204           205 
      1   0.113077D+01 -0.187162D+01  0.821191D+00  0.323537D+00  0.180523D+01
      2  -0.194933D+00  0.821191D+00 -0.136612D+01  0.140935D+01  0.362584D+00
      3   0.303927D+00  0.323537D+00  0.140935D+01 -0.187729D+01  0.506864D+00
               206           207           208           209           210 
      1   0.362584D+00  0.506864D+00  0.931246D+00  0.658588D+00 -0.802869D+00
      2   0.171371D+01 -0.171842D+01  0.658588D+00  0.546672D-01  0.441700D-02
      3  -0.171842D+01  0.374540D+01 -0.802869D+00  0.441700D-02 -0.845328D-01
               211           212           213           214           215 
      1   0.127016D+01 -0.310671D-01 -0.416505D+00 -0.164530D+01 -0.310388D+00
      2  -0.310671D-01  0.196165D+01 -0.186692D+01 -0.310388D+00 -0.216089D+01
      3  -0.416505D+00 -0.186692D+01  0.280360D+01  0.136569D+00  0.245691D+01
               216           217           218           219           220 
      1   0.136569D+00  0.945603D+00 -0.576669D+00  0.864863D-01 -0.226520D+01
      2   0.245691D+01 -0.576669D+00 -0.119148D+01  0.283658D+00  0.363033D+00
      3  -0.577412D+01  0.864863D-01  0.283658D+00 -0.941311D+00 -0.663900D+00
               221           222           223           224           225 
      1   0.363033D+00 -0.663900D+00  0.545530D+00  0.196155D+00 -0.164109D+00
      2  -0.751782D+01  0.952774D+00  0.196155D+00 -0.387119D+00 -0.575657D+00
      3   0.952774D+00 -0.161373D+01 -0.164109D+00 -0.575657D+00  0.354352D+00
               226           227           228           229           230 
      1  -0.463114D+00  0.728367D+00  0.102146D+01  0.889238D+00 -0.424887D+00
      2   0.728367D+00 -0.103785D+01 -0.128484D+00 -0.424887D+00  0.416594D+00
      3   0.102146D+01 -0.128484D+00 -0.282046D+01 -0.100466D+00  0.114669D+01
               231           232           233           234           235 
      1  -0.100466D+00  0.274965D+01 -0.405356D+00 -0.660346D+00  0.982435D+01
      2   0.114669D+01 -0.405356D+00  0.124303D+01  0.935604D+00 -0.603213D+00
      3   0.215528D+01 -0.660346D+00  0.935604D+00  0.570598D+01  0.307082D+01
               236           237           238           239           240 
      1  -0.603213D+00  0.307082D+01  0.485298D+00  0.890604D+00  0.270754D+00
      2   0.123584D+01 -0.189596D+00  0.890604D+00 -0.354486D+00  0.359730D+00
      3  -0.189596D+00  0.211539D+01  0.270754D+00  0.359730D+00  0.483604D+00
               241           242           243 
      1   0.184658D+01  0.269040D-02  0.131482D+01
      2   0.269040D-02  0.181762D+00  0.152291D+00
      3   0.131482D+01  0.152291D+00  0.121323D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.576427D+01 -0.550671D+01  0.178912D+00 -0.513061D+01  0.986291D+01
      2   0.781947D+01  0.721712D+01  0.100649D+02  0.656511D+01  0.119643D+02
      3  -0.641801D+01 -0.759496D+01 -0.131524D+01 -0.364164D+01  0.504156D+01
                 6             7             8             9            10 
      1  -0.106419D+02 -0.672892D+00 -0.415538D+01 -0.233881D+01  0.908514D+00
      2   0.778723D+00  0.237463D+01  0.210582D+01 -0.779389D+01 -0.195003D+02
      3  -0.533665D+01 -0.461029D+00 -0.473808D+01 -0.180613D+01  0.124983D+02
                11            12            13            14            15 
      1   0.220876D+01  0.136045D+01  0.217952D+01 -0.437874D+01 -0.456506D+01
      2  -0.134236D+01  0.826885D+01 -0.140412D+01 -0.873142D+01 -0.486138D+01
      3   0.349598D+01  0.387981D+01  0.135077D+02  0.316058D+01  0.602296D+01
                16            17            18            19            20 
      1   0.471717D+00  0.517302D+01  0.352487D+01 -0.235408D+01 -0.653707D+00
      2   0.868232D+01 -0.529815D+01  0.711370D+01  0.254813D+02  0.238772D+01
      3  -0.576967D+00  0.599612D+01  0.397698D+01 -0.169985D+02 -0.589375D+01
                21            22            23            24            25 
      1  -0.847329D+00  0.406104D+00 -0.102039D+01 -0.422868D+01 -0.342548D+00
      2   0.981457D+00  0.147893D+01  0.534075D+01  0.610919D+01 -0.143180D+02
      3  -0.511728D-01  0.393687D+01 -0.470790D+01 -0.758486D+00 -0.146084D+01
                26            27            28            29            30 
      1   0.253334D+00  0.401653D+01  0.702797D+01 -0.835054D+00 -0.687776D+00
      2   0.444331D+01 -0.958258D-01 -0.294907D+02 -0.522060D+01 -0.185855D+01
      3  -0.236282D+01 -0.298962D+01  0.148150D+02  0.604681D+01  0.538645D+00
                31            32            33            34            35 
      1  -0.541192D+01  0.690455D+00 -0.206974D+01 -0.323486D+01  0.264816D+01
      2  -0.151092D+02 -0.418294D+01 -0.366327D+00 -0.222236D+02 -0.306116D+01
      3   0.330414D+02  0.829366D+01 -0.144533D+01  0.391624D+01  0.127586D+01
                36            37            38            39            40 
      1  -0.391345D+01 -0.732924D+01  0.196924D+01  0.145598D+01  0.575537D+01
      2   0.162565D+00  0.229243D+02  0.595603D+01  0.442178D+01  0.138894D+02
      3   0.690223D+00 -0.215861D+02 -0.108614D+02 -0.301590D+00 -0.655943D+00
                41            42            43            44            45 
      1   0.311642D+00 -0.884322D+00  0.869579D+01  0.176221D+01  0.461523D+00
      2   0.577441D+01 -0.566335D+01 -0.105228D+02 -0.659167D+01  0.937533D+01
      3  -0.210135D+01 -0.380352D+01 -0.255069D+01 -0.539741D+01  0.401364D+01
                46            47            48            49            50 
      1   0.621911D+01 -0.894868D+01 -0.188361D+01 -0.401452D+01  0.844211D+01
      2  -0.690309D+01 -0.571960D+01 -0.866896D+01 -0.486993D+01 -0.173793D-01
      3   0.147653D+02  0.154138D+02 -0.178099D+00  0.226703D+02  0.557264D+01
                51            52            53            54            55 
      1  -0.110390D+02 -0.546216D+00  0.944848D-01 -0.114479D+02 -0.339790D+01
      2  -0.213308D+01 -0.169394D+02  0.984028D+00 -0.614440D+01  0.600675D+01
      3   0.277263D+01  0.143209D+01  0.116836D+00 -0.912889D+00 -0.115332D+02
                56            57            58            59            60 
      1   0.227203D+01 -0.625739D+00 -0.290671D+01 -0.321300D+01 -0.571571D+00
      2   0.533518D+00  0.169770D+02  0.584717D+01 -0.231662D+01  0.753708D+01
      3  -0.184486D+02  0.285601D+01 -0.137057D+02 -0.165136D+02  0.416977D+01
                61            62            63            64            65 
      1   0.437121D+00  0.274536D+01  0.347873D+01  0.706276D+01 -0.114948D+01
      2   0.242399D+01  0.275410D+01 -0.118840D+02  0.950741D+01 -0.212178D+01
      3   0.423717D+01  0.801036D+01 -0.424618D+01 -0.777347D+01 -0.196390D+02
                66            67            68            69            70 
      1  -0.527902D+01 -0.517809D+00  0.544552D+01  0.220474D+01 -0.792242D+01
      2  -0.361162D+01 -0.224043D+01  0.510500D+01  0.314388D+01 -0.108368D+02
      3  -0.538852D+01 -0.990449D+01 -0.484558D+01 -0.492462D+01 -0.302452D+01
                71            72            73            74            75 
      1   0.845896D+01 -0.131253D+02 -0.316541D+00 -0.248538D+01  0.315925D+01
      2   0.573824D+01 -0.138684D+02  0.213394D+01  0.126318D+02 -0.622435D+01
      3  -0.402170D+01 -0.146324D+00  0.569198D+01 -0.153792D+02 -0.127112D+02
                76            77            78            79            80 
      1  -0.284111D+01 -0.463557D+00 -0.263045D+01  0.509352D+01  0.159059D+01
      2   0.161567D+02  0.373532D+01  0.143675D+01 -0.179182D+02 -0.974760D+00
      3  -0.786311D+01 -0.379853D+01 -0.163998D+01 -0.149091D+02 -0.989798D+00
                81            82            83            84            85 
      1   0.151809D+01 -0.191058D+00  0.483945D+01 -0.135904D+01  0.470169D+01
      2  -0.329614D+01 -0.247737D+01 -0.783707D+01  0.357907D+00 -0.111201D+02
      3  -0.524924D+01 -0.713740D+01  0.449557D+01  0.480839D+01  0.136184D+02
                86            87            88            89            90 
      1  -0.670824D+00  0.680033D+01 -0.111339D+01  0.154811D+02  0.121709D+01
      2  -0.410879D+01 -0.480821D+01 -0.251145D+01 -0.574133D+01 -0.277790D+01
      3   0.789255D+01 -0.258117D+01  0.650554D+01 -0.261204D+01  0.851676D+01
                91            92            93            94            95 
      1  -0.219582D+01  0.538742D+01  0.410127D+01 -0.235718D+01  0.774288D+01
      2  -0.307776D+01 -0.177309D+00  0.181392D+02 -0.112127D+01 -0.401435D+01
      3   0.628691D+01 -0.103922D+02  0.305167D+01 -0.481696D+00 -0.163131D+02
                96            97            98            99           100 
      1  -0.764933D+01 -0.978797D+00  0.433448D+01 -0.446147D+01 -0.202629D+01
      2  -0.987936D+01  0.814659D+01 -0.691124D+01 -0.570909D+01  0.503788D+01
      3   0.823929D+00  0.205650D+01 -0.354656D+01  0.457207D+01  0.469274D+01
               101           102           103           104           105 
      1   0.157000D+01 -0.190460D+01  0.975941D+00 -0.173934D+01  0.274836D+00
      2  -0.183199D+01  0.850952D+01 -0.355289D+01  0.167807D+01 -0.385496D+01
      3  -0.398561D+01  0.383024D+01 -0.180979D+01  0.487676D+01 -0.283006D+01
               106           107           108           109           110 
      1  -0.326729D+01  0.324278D+01 -0.340666D+01  0.257897D+01  0.400739D+00
      2   0.763515D+01 -0.869418D+00  0.139598D+02 -0.869445D+01 -0.397947D+01
      3   0.637362D+01 -0.638312D+01  0.409099D+01 -0.507184D+00 -0.527502D+01
               111           112           113           114           115 
      1  -0.269842D+01  0.198627D+01  0.810191D+00 -0.223597D+01 -0.287428D+01
      2   0.950796D+01 -0.532821D+01 -0.381472D+01  0.410989D+01  0.961504D+01
      3   0.127560D+01 -0.143157D+01 -0.500851D+01  0.184258D+01  0.223932D+01
               116           117           118           119           120 
      1   0.494536D+00  0.332169D+01 -0.608110D+00  0.161637D+00  0.118023D+00
      2   0.338826D+01 -0.110285D+02  0.259703D+01  0.549046D+00  0.726037D+00
      3   0.601405D+01 -0.356983D+00  0.833860D+00 -0.950922D+00  0.373298D+00
               121           122           123           124           125 
      1  -0.133048D+01 -0.270955D+01  0.544469D+00 -0.891966D+00  0.450687D+01
      2   0.193461D+01  0.514365D+00 -0.248478D+01 -0.410977D+01 -0.152355D+01
      3   0.176441D+01  0.864936D+00 -0.113691D+01  0.105961D+00 -0.165753D+01
               126           127           128           129           130 
      1  -0.245822D+01  0.228615D+01 -0.202110D+01  0.240805D+01 -0.167859D+01
      2   0.528395D+01 -0.687459D+00  0.766781D+00  0.548850D+00  0.100631D+01
      3   0.189153D+01 -0.340762D+01  0.209151D+01 -0.262830D+01  0.431829D+01
               131           132           133           134           135 
      1   0.703322D+01 -0.737431D+01  0.957320D+00 -0.589051D+01  0.850087D+01
      2  -0.185444D+01  0.228826D+01 -0.747423D+00  0.316658D+01 -0.291697D+01
      3  -0.107446D+02  0.371367D+01 -0.509183D+01  0.674387D+01 -0.488704D+01
               136           137           138           139           140 
      1  -0.105011D+01 -0.653148D+00  0.962144D-01 -0.597618D+00 -0.613157D+00
      2   0.168275D+01  0.163258D+00  0.341008D+00  0.106787D+00  0.448586D+01
      3  -0.894372D+00 -0.199810D+00  0.894412D+00  0.158094D+01 -0.755478D+01
               141           142           143           144           145 
      1  -0.521929D+01 -0.148056D+00 -0.285118D+01 -0.965940D+01 -0.143920D+01
      2   0.454232D+01 -0.293812D+01  0.688286D+01  0.971065D+01 -0.419989D+01
      3  -0.414148D+01  0.265627D+01 -0.663314D+01 -0.730158D+01 -0.156717D+01
               146           147           148           149           150 
      1   0.289628D+01 -0.271772D+00  0.267652D+01 -0.144436D+02  0.180610D+01
      2   0.206975D+01 -0.138692D+01  0.435920D+01 -0.707120D+01  0.577665D+01
      3   0.940384D+00 -0.330653D+00  0.405911D+01 -0.862005D+01  0.365276D+01
               151           152           153           154           155 
      1  -0.434768D+00  0.474197D+01 -0.289002D+01  0.192832D+01 -0.351692D+01
      2  -0.271100D+01  0.331712D+01 -0.284202D+01  0.483105D+01 -0.128926D+01
      3  -0.757059D+00  0.259541D+01 -0.237307D+01  0.119729D+01 -0.401737D+01
               156           157           158           159           160 
      1   0.157575D+00 -0.136683D+01  0.117624D+01  0.758210D+00 -0.958224D+00
      2   0.365761D+01 -0.215157D+01 -0.124886D+01 -0.174973D+01 -0.330434D+01
      3  -0.660804D+00 -0.509902D+00  0.159610D+01  0.228487D+01 -0.701372D-01
               161           162           163           164           165 
      1   0.335992D+01  0.355724D+00  0.291284D+01  0.497863D+01  0.191971D+00
      2  -0.274715D+00 -0.201836D+01 -0.143753D+02 -0.626263D+01 -0.651390D+01
      3   0.244458D+01  0.983638D+00  0.645404D+01  0.274411D+01  0.273416D+01
               166           167           168           169           170 
      1   0.274294D+01  0.403715D+01  0.454319D+00  0.731923D+00  0.312523D+01
      2  -0.724292D+01 -0.685166D+01 -0.496702D+01 -0.584377D+01 -0.339319D+01
      3   0.539479D+01  0.354463D+01  0.350454D+01  0.149949D+01  0.137152D+01
               171           172           173           174           175 
      1   0.134758D+01  0.149596D+01 -0.242030D+00  0.282852D+01 -0.822245D+00
      2  -0.525740D+01  0.145586D+01 -0.561995D+00  0.354071D+01 -0.319895D+00
      3   0.261398D+01  0.559858D+00  0.120924D+00 -0.759626D+00  0.138418D+01
               176           177           178           179           180 
      1   0.196381D+01 -0.247910D+01  0.381636D+01  0.348951D-02  0.163267D+02
      2   0.215275D+01 -0.160303D+01  0.143765D+01 -0.443692D+01  0.174555D+02
      3   0.102142D+01 -0.168266D+01 -0.177385D+01 -0.524698D+01  0.213888D+01
               181           182           183           184           185 
      1  -0.191283D+01 -0.864447D+00 -0.353133D+01 -0.104734D+01 -0.220937D+01
      2  -0.139096D+01 -0.669244D+00 -0.469987D+00 -0.232869D+00 -0.138920D+01
      3   0.143993D+02  0.138317D+02  0.305122D+01  0.105204D+02  0.167194D+02
               186           187           188           189           190 
      1  -0.423235D+01 -0.758286D+00 -0.101229D+01 -0.690289D+00 -0.492367D+01
      2  -0.126391D+01 -0.134342D+01 -0.234132D+01 -0.297328D+00 -0.560812D+01
      3   0.284962D+01  0.293871D+01  0.416024D+01  0.343098D+01 -0.421759D+01
               191           192           193           194           195 
      1   0.167647D+01  0.555289D+01  0.242460D+01 -0.223221D+01 -0.299690D+01
      2   0.273666D+01  0.770356D+01  0.175570D+01 -0.280494D+01 -0.277107D+01
      3  -0.298847D+01  0.204030D+01  0.230759D+01  0.269261D+01  0.768310D+00
               196           197           198           199           200 
      1   0.398507D+01 -0.110240D+01 -0.324753D+01  0.497069D-01  0.330689D+00
      2   0.452960D+01 -0.313573D+01 -0.442334D+01 -0.501881D+00 -0.501040D+00
      3   0.191693D+01  0.376529D+01 -0.374606D+00  0.954594D+00  0.505834D+00
               201           202           203           204           205 
      1   0.218895D+00  0.476488D+01  0.783439D+00 -0.307291D+01  0.259471D+01
      2  -0.181546D+00  0.159952D+01  0.129942D+01 -0.903972D+00 -0.271452D+01
      3  -0.767175D+00  0.325023D+01  0.293277D+00 -0.284160D+00 -0.238239D+01
               206           207           208           209           210 
      1   0.144544D+01  0.343506D+01 -0.103961D+01  0.469592D+00  0.855383D-03
      2   0.129986D+00  0.258077D+01 -0.871370D+00  0.687974D-01  0.542842D+00
      3  -0.896020D+00  0.530703D+00 -0.177641D+01 -0.615274D+00  0.414586D+00
               211           212           213           214           215 
      1   0.218289D+01 -0.196847D+01 -0.403348D+00  0.112460D+01  0.389248D+01
      2   0.625525D+00 -0.380797D+01  0.509758D+01 -0.382326D+01  0.440617D+01
      3   0.343624D+01 -0.355702D+01  0.396032D+01  0.410524D+00  0.442134D+01
               216           217           218           219           220 
      1   0.715859D+00  0.122498D+00 -0.236047D+01  0.237866D-01  0.349764D+00
      2  -0.101967D+02  0.936251D+00  0.215211D+01 -0.257176D+01  0.505163D+00
      3  -0.499106D+01  0.228911D+01  0.448984D+01 -0.112964D+01  0.208806D+01
               221           222           223           224           225 
      1  -0.119685D+02 -0.646323D+00  0.168271D+01 -0.878044D+00 -0.334577D+00
      2   0.419904D+01 -0.423770D+01 -0.478228D+00 -0.194344D+01  0.209845D+01
      3   0.264849D+02 -0.299872D+01 -0.151023D+01  0.180449D+01  0.209402D+01
               226           227           228           229           230 
      1   0.599847D+00 -0.192017D+01 -0.389193D+01  0.350923D+00  0.189257D+01
      2   0.669477D+01 -0.172961D+01 -0.122943D+02 -0.189770D+01  0.544362D+01
      3  -0.145770D+01  0.206810D+01 -0.333522D-01  0.111756D+01 -0.859325D+00
               231           232           233           234           235 
      1   0.348979D+01 -0.204014D+01  0.363947D+01  0.649390D+01  0.135609D+01
      2   0.882596D+01 -0.756924D+01  0.412472D+01  0.222551D+02 -0.135725D+01
      3  -0.403351D+01  0.157186D+00 -0.329699D+01 -0.246109D+01 -0.426226D+01
               236           237           238           239           240 
      1   0.199635D+01  0.112791D+01  0.552672D+00 -0.206393D+00 -0.308543D+00
      2  -0.343608D+00  0.640903D+01  0.760948D+00  0.521555D+00  0.190160D+01
      3  -0.631170D+01 -0.113945D+01 -0.187714D+01  0.668509D+00 -0.795194D+00
               241           242           243 
      1   0.692041D+00  0.120463D+01  0.905968D+00
      2  -0.107078D+00  0.956144D+00  0.258101D+01
      3  -0.187691D+01 -0.937783D+00 -0.144858D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.317274D+01  0.127213D+02  0.179444D+02  0.117118D+02  0.142322D+02
      2   0.776708D+01 -0.948899D+01 -0.165262D+02 -0.936819D+01  0.138260D+01
      3  -0.109398D+02 -0.323228D+01 -0.141816D+01 -0.234363D+01 -0.156148D+02
      4   0.128994D+02  0.354289D+01 -0.698140D+01  0.559084D+01 -0.149920D+02
      5   0.257897D+02 -0.126529D+02 -0.249023D+02 -0.138347D+02  0.450467D+01
      6  -0.143437D+02 -0.819813D+01  0.239561D+01 -0.702200D+01  0.995192D+01
                 6             7             8             9            10 
      1   0.827965D-01  0.128817D+02 -0.848701D-01 -0.155892D+02 -0.182209D+02
      2   0.291815D+01 -0.123929D+02  0.218546D+01 -0.169900D+01  0.161082D+02
      3  -0.300095D+01 -0.488759D+00 -0.210059D+01  0.172882D+02  0.211272D+01
      4   0.995985D+01 -0.716966D+01  0.847519D+01  0.674253D+01 -0.335155D+02
      5   0.424036D+01 -0.239278D+02  0.599210D+01 -0.731977D+00 -0.124874D+02
      6  -0.118160D+02  0.333301D+01 -0.106756D+02 -0.140426D+01  0.971116D+01
                11            12            13            14            15 
      1  -0.186689D+02 -0.836193D+01 -0.242180D+02 -0.223163D+02 -0.977103D+01
      2   0.143129D+02  0.561438D+01  0.172526D+02  0.212921D+01  0.541904D+01
      3   0.435601D+01  0.274755D+01  0.696535D+01  0.201871D+02  0.435199D+01
      4  -0.212707D+01  0.348193D+01 -0.519171D+01  0.241863D+01 -0.126719D+02
      5   0.986646D+00  0.124994D+02  0.222713D+01 -0.867433D+01 -0.562455D+01
      6  -0.207985D+01 -0.213617D+01  0.789105D+00  0.777475D+01  0.525789D+01
                16            17            18            19            20 
      1  -0.129919D+01 -0.850651D+01  0.997118D+01  0.635943D+02  0.110029D+02
      2  -0.455104D+01  0.787423D+01  0.785579D+00 -0.529059D+02 -0.108237D+02
      3   0.585023D+01  0.632275D+00 -0.107568D+02 -0.106884D+02 -0.179198D+00
      4   0.742935D+01 -0.155917D+02 -0.123045D+02  0.180520D+02 -0.113838D+02
      5   0.127515D+02 -0.908761D+01  0.142930D+02 -0.189320D+02 -0.705595D+01
      6  -0.654354D+01  0.522029D+01 -0.592561D+01 -0.226532D+02 -0.571389D+01
                21            22            23            24            25 
      1   0.888505D+00  0.100236D+02  0.993826D+01 -0.983222D+00  0.289815D+01
      2  -0.197373D+01 -0.120625D+02 -0.646272D+01 -0.644362D+01  0.128774D+01
      3   0.108523D+01  0.203888D+01 -0.347554D+01  0.742684D+01 -0.418588D+01
      4  -0.670097D+01 -0.235211D+02 -0.509281D+01  0.203825D+01 -0.119904D+02
      5  -0.801026D+00 -0.110224D+02 -0.452074D+01  0.688329D+01 -0.642041D+01
      6  -0.131794D+01 -0.902718D+01 -0.552521D+01 -0.199566D+01 -0.912860D+00
                26            27            28            29            30 
      1  -0.134035D+01  0.605496D+01 -0.131075D+03 -0.131893D+02  0.525589D+01
      2  -0.760139D+01  0.706135D+01  0.841805D+02  0.712246D+01 -0.467091D+01
      3   0.894174D+01 -0.131163D+02  0.468949D+02  0.606687D+01 -0.584982D+00
      4   0.429615D+01  0.837234D+01 -0.205740D+02 -0.105265D+02  0.512862D-01
      5   0.488411D+01 -0.445981D+01  0.352974D+02  0.210459D+01 -0.117357D+02
      6  -0.315090D+00  0.723611D+01  0.255804D+02  0.580295D+01  0.406439D+00
                31            32            33            34            35 
      1  -0.398290D+02 -0.266847D+02 -0.597484D+01  0.257043D+02 -0.350704D+01
      2   0.279835D+02  0.204544D+02  0.370274D+01 -0.132959D+02  0.601845D+01
      3   0.118455D+02  0.623035D+01  0.227210D+01 -0.124084D+02 -0.251141D+01
      4  -0.158210D+02 -0.117397D+02 -0.335597D+01  0.309888D+01 -0.339368D+01
      5   0.733506D+01  0.207945D+01 -0.584365D+00 -0.903300D+01  0.185279D+01
      6   0.708133D+01  0.103701D+02  0.482409D+01  0.129967D+00  0.175058D+01
                36            37            38            39            40 
      1  -0.130219D+02  0.184383D+03  0.323500D+02 -0.159247D+02  0.360062D+02
      2   0.172729D+01 -0.106816D+03 -0.185123D+02  0.103896D+02 -0.174152D+02
      3   0.112946D+02 -0.775672D+02 -0.138377D+02  0.553515D+01 -0.185910D+02
      4   0.972001D+00  0.399738D+02  0.189880D+02  0.835770D+00  0.302397D+02
      5   0.255574D-02 -0.499126D+02 -0.331643D+01  0.126440D+02 -0.194171D+01
      6   0.474132D+01 -0.250088D+02 -0.572742D+01  0.541217D-01 -0.101433D+02
                41            42            43            44            45 
      1   0.899123D+01 -0.107904D+02 -0.568939D+01 -0.964686D+01  0.108048D+02
      2   0.153887D+01 -0.122830D+01  0.977414D+01  0.413575D+01 -0.505836D+01
      3  -0.105301D+02  0.120187D+02 -0.408475D+01  0.551111D+01 -0.574647D+01
      4   0.674953D+01  0.116139D+01  0.885978D+01  0.624010D+01 -0.101074D+02
      5   0.151618D+01 -0.126708D+02  0.178569D+02 -0.892312D+01  0.675713D+01
      6   0.148331D-01  0.875223D+00  0.514420D+00  0.187668D+00  0.100796D+02
                46            47            48            49            50 
      1  -0.168908D+03 -0.354924D+02  0.300986D+02 -0.579129D+02 -0.199937D+02
      2   0.884692D+02  0.164059D+02 -0.151811D+02  0.294450D+02  0.110788D+02
      3   0.804391D+02  0.190865D+02 -0.149175D+02  0.284680D+02  0.891488D+01
      4  -0.617037D+02 -0.298604D+02  0.111204D+02 -0.175835D+02 -0.100343D+02
      5   0.621011D+02  0.151455D+02 -0.247136D+02  0.275675D+02  0.116159D+01
      6   0.214088D+02  0.281428D+01 -0.595988D+01 -0.515731D+00  0.662471D+01
                51            52            53            54            55 
      1   0.110387D+02  0.341546D+02  0.115949D+02 -0.134832D+02  0.179367D+03
      2  -0.103397D+02 -0.117475D+02  0.306865D+00  0.106314D+02 -0.914564D+02
      3  -0.699027D+00 -0.224070D+02 -0.119017D+02  0.285181D+01 -0.879110D+02
      4  -0.413496D+00  0.215261D+02 -0.339359D+01  0.510473D+01  0.546358D+02
      5   0.497527D+01 -0.154306D+02  0.636871D+01 -0.117604D+02 -0.595095D+02
      6   0.873770D+00  0.519388D+01 -0.291836D+01  0.551190D+01 -0.112915D+02
                56            57            58            59            60 
      1   0.354626D+02 -0.317216D+02  0.696332D+02  0.308089D+02 -0.455312D+01
      2  -0.135710D+02  0.204068D+02 -0.294168D+02 -0.457594D+01  0.891850D+00
      3  -0.218917D+02  0.113148D+02 -0.402164D+02 -0.262329D+02  0.366127D+01
      4   0.363169D+02 -0.115191D+02  0.600372D+02  0.417800D+02 -0.154649D+02
      5  -0.136447D+02  0.363578D+02 -0.201715D+02 -0.173067D+02  0.102953D+02
      6  -0.550950D+01  0.567108D+01 -0.105419D+02 -0.883470D+01  0.923668D+01
                61            62            63            64            65 
      1  -0.787996D+02 -0.111764D+02  0.247521D+02 -0.229048D+01  0.321253D+02
      2   0.462767D+02  0.486740D+01 -0.226448D+02 -0.130590D+02 -0.263766D+02
      3   0.325228D+02  0.630901D+01 -0.210728D+01  0.153495D+02 -0.574870D+01
      4  -0.231315D+02 -0.120209D+02  0.132177D+02  0.315461D+02 -0.127558D+02
      5   0.579925D+02  0.150969D+02 -0.361776D+02  0.142181D+02 -0.537780D+01
      6   0.109044D+02  0.945552D+01 -0.616007D+01 -0.144341D+02  0.277275D+01
                66            67            68            69            70 
      1   0.162298D+02  0.278388D+02  0.712475D+01  0.857349D+00  0.151636D+02
      2  -0.658829D+01 -0.224445D+02  0.153435D+01 -0.790122D+01 -0.150847D+01
      3  -0.964152D+01 -0.539427D+01 -0.865909D+01  0.704387D+01 -0.136552D+02
      4  -0.141353D+02 -0.779767D+01 -0.127596D+02  0.101710D+02 -0.182416D+02
      5  -0.104973D+02 -0.486908D+01  0.101632D+02  0.570732D+01 -0.133375D+02
      6   0.800632D+01  0.401263D+01 -0.105637D+02 -0.458559D+01  0.117053D+02
                71            72            73            74            75 
      1  -0.165220D+01 -0.751157D+01 -0.985408D+01 -0.949272D+01 -0.228351D+01
      2  -0.921389D+01  0.608337D+01  0.624691D+01  0.359689D+01  0.743140D+01
      3   0.108661D+02  0.142820D+01  0.360717D+01  0.589583D+01 -0.514789D+01
      4   0.115335D+02  0.168005D+02 -0.949139D+01  0.480621D+01  0.161768D+02
      5   0.110612D+02 -0.286720D+02  0.610803D+01  0.165794D+02 -0.207786D+02
      6  -0.542074D+01  0.196204D+02  0.344656D+01  0.847365D+01  0.780398D+00
                76            77            78            79            80 
      1  -0.119249D+02  0.196227D+02  0.273018D+02  0.311828D+01  0.273024D+02
      2   0.578390D+01 -0.821446D+01 -0.148735D+02  0.786041D+01 -0.159954D+02
      3   0.614095D+01 -0.114083D+02 -0.124283D+02 -0.109787D+02 -0.113070D+02
      4   0.129095D+02  0.138382D+02  0.113900D+02  0.290755D+02  0.159500D+02
      5   0.275485D+02  0.761702D+01  0.566124D+01 -0.295343D+02  0.372632D+01
      6   0.766194D+01  0.180688D+01 -0.907261D+00 -0.174875D+01 -0.206490D+00
                81            82            83            84            85 
      1  -0.230620D+02 -0.346167D+02  0.238208D+01  0.918764D+01  0.441351D+01
      2   0.160437D+02  0.321889D+02  0.899114D+01 -0.794340D+01  0.819260D+01
      3   0.701834D+01  0.242783D+01 -0.113732D+02 -0.124425D+01 -0.126061D+02
      4   0.611214D-01  0.159520D+02  0.163041D+02  0.107023D+01  0.211597D+02
      5  -0.108642D+02  0.116226D+02  0.293767D+01  0.209197D+01  0.241312D+01
      6   0.489648D+01  0.171460D+02 -0.477188D+00  0.566393D-01  0.165098D+01
                86            87            88            89            90 
      1   0.832530D+01 -0.401825D+01  0.228708D+02  0.779775D+00  0.213528D+02
      2  -0.241081D+01  0.119385D+02 -0.190245D+02  0.104930D+02 -0.174230D+02
      3  -0.591449D+01 -0.792021D+01 -0.384629D+01 -0.112728D+02 -0.392976D+01
      4   0.247814D+01 -0.440619D+01 -0.130985D+01 -0.810741D+01 -0.135159D+02
      5   0.257068D+01 -0.108297D+02 -0.358458D+00 -0.161878D+02 -0.618995D+01
      6  -0.312517D+00 -0.156457D+02 -0.512332D+01 -0.258906D+02 -0.169158D+02
                91            92            93            94            95 
      1  -0.576502D+02  0.613038D+00 -0.324973D+02 -0.105074D+02  0.211995D+02
      2   0.354035D+02 -0.620429D+01  0.778465D+01  0.331885D+01 -0.221855D+02
      3   0.222467D+02  0.559125D+01  0.247127D+02  0.718859D+01  0.986054D+00
      4   0.123506D+01  0.163333D+02 -0.452817D+00  0.109479D+02  0.241953D+02
      5  -0.292657D+02 -0.243761D+01  0.114282D+02 -0.687838D+01  0.302275D+01
      6  -0.492787D+00  0.524891D+01 -0.264323D+00  0.402477D+01  0.725109D+01
                96            97            98            99           100 
      1   0.316276D+01 -0.174892D+02  0.534095D+01  0.167272D+02  0.381450D+02
      2   0.881675D+01  0.268799D+01 -0.175387D+00 -0.378774D+01 -0.245447D+02
      3  -0.119795D+02  0.148012D+02 -0.516557D+01 -0.129394D+02 -0.136003D+02
      4   0.680056D+00 -0.316891D+01  0.542379D+01 -0.141835D+02  0.214785D+01
      5  -0.132480D+02  0.135476D+02 -0.120865D+02  0.539338D+01  0.250263D+02
      6   0.254357D+01 -0.271552D+01  0.664080D+01 -0.983149D+01 -0.436256D-01
               101           102           103           104           105 
      1  -0.130515D+01  0.163984D+02 -0.108650D+02  0.317319D+01 -0.771689D+01
      2   0.156515D+01 -0.128754D+02  0.751569D+01 -0.257407D+01  0.606692D+01
      3  -0.259996D+00 -0.352299D+01  0.334933D+01 -0.599119D+00  0.164997D+01
      4   0.666565D+01 -0.175755D+01  0.767794D+01 -0.652682D+01  0.465026D+01
      5  -0.375513D+01  0.219923D+02 -0.108158D+02  0.618096D+01 -0.887709D+01
      6   0.116339D+01  0.136024D+01  0.217038D+01 -0.188789D+01  0.339870D+01
               106           107           108           109           110 
      1   0.275328D+02 -0.483891D+01  0.170172D+02  0.518314D+02  0.147929D+02
      2  -0.224354D+02  0.459949D+01 -0.206143D+02 -0.239850D+02 -0.428224D+01
      3  -0.509739D+01  0.239423D+00  0.359705D+01 -0.278464D+02 -0.105107D+02
      4  -0.186646D+01  0.806181D+01  0.128146D+00  0.271559D+02  0.162584D+02
      5   0.334212D+02 -0.264172D+01  0.353592D+02 -0.167383D+02 -0.733758D+01
      6   0.136558D+01  0.400454D+01  0.190553D+01 -0.625220D+01 -0.318431D+01
               111           112           113           114           115 
      1  -0.134491D+02  0.170277D+02  0.649236D+01 -0.697674D+01 -0.301639D+02
      2   0.590834D+01 -0.455719D+01  0.241228D+01  0.247534D+01  0.140379D+02
      3   0.754081D+01 -0.124706D+02 -0.890465D+01  0.450140D+01  0.161259D+02
      4  -0.975012D+01  0.199980D+02  0.164887D+02 -0.873555D+01 -0.197145D+02
      5   0.164131D+02 -0.901314D+01 -0.718340D+01  0.599469D+01  0.245950D+02
      6   0.380475D+01 -0.461204D+01 -0.301328D+01  0.466809D+01  0.741802D+01
               116           117           118           119           120 
      1  -0.104219D+02  0.152309D+02  0.138150D+01 -0.643077D+00  0.200560D+01
      2   0.319669D+01 -0.102748D+02 -0.353487D+01  0.276992D+00 -0.200610D+00
      3   0.722526D+01 -0.495613D+01  0.215337D+01  0.366084D+00 -0.180499D+01
      4  -0.158947D+02  0.103323D+02 -0.165614D+01  0.271815D+01 -0.188835D+00
      5   0.761234D+01 -0.189926D+02  0.127135D+01 -0.969993D+00  0.591571D+01
      6   0.535555D+01 -0.710205D+01 -0.158487D+01  0.606702D-01  0.283428D+00
               121           122           123           124           125 
      1   0.156519D+01 -0.667590D+01  0.695315D+01  0.112285D+00  0.438866D+01
      2  -0.212309D+00  0.201001D+01  0.537501D+00 -0.645129D+00  0.258250D+01
      3  -0.135288D+01  0.466589D+01 -0.749065D+01  0.532844D+00 -0.697117D+01
      4   0.293517D+01 -0.291953D+01  0.242573D+01 -0.324246D+00  0.496632D+01
      5  -0.165219D+01  0.199605D+01 -0.450634D+01  0.560094D+01 -0.277670D+01
      6   0.266494D+00 -0.532966D+01  0.703541D+01 -0.257621D+00  0.625539D+01
               126           127           128           129           130 
      1  -0.188771D+02 -0.109401D+01  0.742363D+01 -0.308079D+01  0.562801D+01
      2  -0.100386D+02  0.284615D+01 -0.104166D+02  0.344990D+01 -0.556991D+01
      3   0.289157D+02 -0.175214D+01  0.299299D+01 -0.369102D+00 -0.580933D-01
      4  -0.375316D+01 -0.193704D+01  0.138134D+01 -0.180677D+01  0.422269D+01
      5   0.103822D+02 -0.143299D+01  0.371226D+00 -0.377054D+00  0.663994D+00
      6  -0.576120D+01 -0.418102D+01  0.113598D+01 -0.237775D+01  0.542747D+00
               131           132           133           134           135 
      1  -0.226417D+02  0.587673D+01 -0.668755D+01  0.129732D+02 -0.109786D+02
      2   0.347342D+02 -0.107100D+02  0.445815D+01 -0.213563D+02  0.119124D+02
      3  -0.120926D+02  0.483328D+01  0.222940D+01  0.838315D+01 -0.933808D+00
      4   0.118102D+02 -0.301256D+01 -0.441899D+01 -0.745360D+01  0.435442D+01
      5  -0.501103D+01  0.546552D+01 -0.244431D+00  0.658308D+01 -0.606320D+01
      6  -0.596569D+01  0.987911D+01 -0.528054D+00  0.111722D+02 -0.794711D+01
               136           137           138           139           140 
      1   0.494165D+01  0.424847D+01  0.307227D+01  0.320247D+01 -0.193486D+02
      2  -0.479255D+01 -0.308943D+01 -0.103795D+01 -0.204362D+01  0.187352D+02
      3  -0.149103D+00 -0.115904D+01 -0.203432D+01 -0.115885D+01  0.613485D+00
      4   0.450629D+01  0.503906D+01  0.468064D+01  0.664237D+01  0.148058D+02
      5   0.291190D+01  0.354233D+01  0.577063D+01  0.339235D+01  0.989092D+01
      6   0.323452D+01  0.147537D+00  0.151032D+00  0.294261D+01  0.215658D+02
               141           142           143           144           145 
      1  -0.124512D+02 -0.740839D+00 -0.217471D+02 -0.267883D+02 -0.234191D+01
      2   0.806707D+01  0.114298D+01  0.127387D+02  0.574397D+01 -0.424288D+00
      3   0.438408D+01 -0.402136D+00  0.900840D+01  0.210443D+02  0.276620D+01
      4   0.983282D+01  0.977013D+01  0.157446D+02  0.147921D+02  0.976352D+00
      5   0.100741D+02  0.100446D+02  0.168083D+02  0.214354D+02 -0.179728D+01
      6   0.205954D+02  0.674600D+01  0.304792D+02  0.340628D+02 -0.173943D+01
               146           147           148           149           150 
      1   0.248375D+01 -0.547629D+01  0.388764D+01 -0.127181D+02  0.992735D+01
      2  -0.233884D+00  0.126631D+01 -0.178006D+01  0.512683D+01  0.375600D+01
      3  -0.224986D+01  0.420999D+01 -0.210757D+01  0.759128D+01 -0.136834D+02
      4  -0.169811D+00  0.673191D+00  0.483605D+00  0.179976D+02 -0.768818D+01
      5  -0.794063D+00  0.334458D+01 -0.398177D+01 -0.511940D+01  0.866271D+01
      6   0.422199D+01 -0.206833D+01  0.280945D+01 -0.215200D+02  0.128016D+02
               151           152           153           154           155 
      1  -0.295844D+01  0.626575D+01 -0.674295D+01  0.240549D+02 -0.396732D+01
      2   0.136327D+01  0.116748D+01 -0.264143D+01 -0.223706D+02  0.299300D+01
      3   0.159516D+01 -0.743324D+01  0.938438D+01 -0.168439D+01  0.974318D+00
      4   0.358076D+00 -0.494524D+01  0.423320D+01 -0.118944D+02  0.970539D+01
      5   0.438568D+01  0.291818D+01 -0.370365D+01 -0.385165D+02  0.902857D+01
      6  -0.164601D+01  0.107902D+02 -0.724243D+01  0.814035D+01 -0.671466D+01
               156           157           158           159           160 
      1  -0.790829D+01 -0.465989D+01  0.156663D-01 -0.746333D+00 -0.669549D+01
      2   0.182359D+02  0.377301D+01 -0.136383D+01 -0.340633D+01  0.139069D+02
      3  -0.103276D+02  0.886880D+00  0.134816D+01  0.415266D+01 -0.721139D+01
      4   0.727066D+01  0.836819D+01 -0.553411D+01 -0.736900D+01  0.527769D+01
      5   0.342675D+02  0.100806D+02 -0.814311D+01 -0.965316D+01  0.253525D+02
      6  -0.656547D+01 -0.540240D+01  0.448225D+01  0.824990D+01 -0.480859D+01
               161           162           163           164           165 
      1  -0.516928D+00  0.906695D+00 -0.105490D+02 -0.991638D+01 -0.142734D+02
      2  -0.188257D+01 -0.152694D+02  0.227826D+01  0.525905D+01  0.295379D+00
      3   0.239950D+01  0.143627D+02  0.827075D+01  0.465733D+01  0.139780D+02
      4  -0.494074D+01 -0.616161D+01  0.393224D+00 -0.166394D+01 -0.148011D+00
      5  -0.629015D+01 -0.267234D+02  0.743792D+01  0.425326D+01  0.303623D+01
      6   0.641648D+01  0.675501D+01  0.786331D+01  0.971307D+01  0.700169D+01
               166           167           168           169           170 
      1  -0.893434D+01 -0.133132D+02 -0.993332D+01 -0.749720D+01 -0.552316D+01
      2   0.488620D+01  0.798150D+01  0.184212D+00  0.722816D+00 -0.693474D-01
      3   0.404814D+01  0.533174D+01  0.974910D+01  0.677438D+01  0.559251D+01
      4   0.325268D+00 -0.189472D+01 -0.307483D+01  0.234949D+00 -0.193807D+01
      5   0.649062D+01  0.965683D+00 -0.203810D+01  0.627560D+01  0.111561D+00
      6   0.644687D+01  0.101862D+02  0.105300D+02  0.376466D+01  0.730523D+01
               171           172           173           174           175 
      1  -0.909055D+01  0.497307D+01 -0.460851D+01  0.343685D+01 -0.113376D+01
      2  -0.206057D+01 -0.184804D+01  0.229992D+01 -0.271309D+01  0.253702D+00
      3   0.111511D+02 -0.312503D+01  0.230859D+01 -0.723766D+00  0.880057D+00
      4  -0.144648D+01 -0.820522D+01  0.585381D+01 -0.379368D+01  0.383995D+01
      5   0.218903D+00  0.620762D+01 -0.225478D+01  0.104240D+02 -0.101179D+01
      6   0.640428D+01 -0.286735D+01  0.170224D+01 -0.501092D+01  0.183623D+01
               176           177           178           179           180 
      1  -0.341183D+01  0.290268D+01  0.549840D+01  0.496271D+01 -0.515925D+01
      2   0.307243D+01 -0.387507D+01 -0.393114D+01 -0.695746D+01 -0.737829D+01
      3   0.339402D+00  0.972384D+00 -0.156726D+01  0.199476D+01  0.125375D+02
      4  -0.242143D+01  0.521858D+01 -0.937567D+01  0.129708D+02 -0.138393D+02
      5   0.478351D+01 -0.354697D+01  0.154845D+02 -0.109114D+02  0.373564D+02
      6  -0.447288D+01  0.824443D+01 -0.869667D+01  0.131136D+02 -0.291549D+02
               181           182           183           184           185 
      1  -0.137423D+02 -0.238136D+02 -0.526812D+01 -0.148640D+02 -0.259709D+02
      2   0.142878D+02  0.284000D+02  0.396549D+01  0.147101D+02  0.352780D+02
      3  -0.545415D+00 -0.458647D+01  0.130262D+01  0.153950D+00 -0.930711D+01
      4   0.526994D+01 -0.155724D+01  0.236850D+01  0.575158D+01 -0.738551D+01
      5  -0.290754D+01 -0.724808D+00 -0.156144D+01 -0.102383D+01 -0.292927D+01
      6   0.304430D+01  0.152412D+01  0.551517D+01  0.915526D+00  0.327047D+01
               186           187           188           189           190 
      1  -0.418163D+01 -0.555576D+01 -0.553241D+01 -0.534274D+01  0.426865D+02
      2   0.533923D+01  0.293079D+01  0.817822D+01  0.439369D+01 -0.111953D+02
      3  -0.115760D+01  0.262497D+01 -0.264581D+01  0.949047D+00 -0.314912D+02
      4  -0.129679D+01  0.370082D+01 -0.411981D+01 -0.209806D+01 -0.454625D+02
      5  -0.338730D+01  0.133700D+01 -0.325746D+01  0.843293D+00 -0.140106D+02
      6   0.649808D+01  0.168745D+01  0.703852D+01  0.173446D+01  0.888581D+01
               191           192           193           194           195 
      1  -0.148078D+02 -0.111864D+02 -0.113780D+02  0.352940D+01  0.110974D+01
      2  -0.250697D+01  0.399663D+01 -0.110559D+01  0.802633D+01  0.297563D+01
      3   0.173148D+02  0.718975D+01  0.124836D+02 -0.115557D+02 -0.408537D+01
      4   0.308066D+02  0.121197D+02  0.219489D+02 -0.190603D+02 -0.770350D+01
      5   0.580378D+01  0.136826D+02  0.476934D+01 -0.541638D+01 -0.439536D+01
      6  -0.499108D+01 -0.911109D+01 -0.366661D+01  0.508017D+01  0.518721D+01
               196           197           198           199           200 
      1  -0.157149D+02  0.275972D+01  0.654429D+01 -0.897796D+00 -0.189136D+01
      2   0.418869D+01  0.542379D+01 -0.306194D+01  0.160023D+01  0.165110D+01
      3   0.115262D+02 -0.818351D+01 -0.348234D+01 -0.702435D+00  0.240267D+00
      4   0.201548D+02 -0.166165D+02 -0.125215D+02 -0.162324D+01  0.166209D+01
      5   0.142804D+02 -0.809179D+01 -0.975063D+01  0.287976D+01 -0.133145D+01
      6  -0.974728D+01  0.731504D+01  0.642283D+01  0.504551D-01  0.355032D+00
               201           202           203           204           205 
      1   0.177054D+01 -0.273549D+01 -0.290742D+01  0.570513D+01  0.396827D+01
      2  -0.127991D+01 -0.132046D+01  0.360677D+01 -0.311297D+01 -0.337065D+01
      3  -0.490627D+00  0.405595D+01 -0.699342D+00 -0.259216D+01 -0.597617D+00
      4  -0.199994D+01  0.176003D+01 -0.212575D+01  0.316163D+01 -0.226543D+01
      5   0.372180D+01 -0.117558D+01  0.145916D+01 -0.247337D+01  0.378970D+01
      6  -0.300370D+00  0.244812D+00 -0.435558D+01  0.370582D+01 -0.781575D+00
               206           207           208           209           210 
      1   0.629542D+01 -0.661609D+01  0.258826D+00  0.169124D+01 -0.274062D+01
      2  -0.535566D+01  0.131389D+01 -0.140181D+01 -0.849346D+00  0.566203D+00
      3  -0.939754D+00  0.530220D+01  0.114298D+01 -0.841897D+00  0.217442D+01
      4   0.371315D+01 -0.436534D+01  0.184413D+01  0.244681D+01 -0.226947D+01
      5  -0.362279D+01  0.545238D+01 -0.253787D+01 -0.255220D+01  0.518990D+01
      6   0.424696D+01 -0.642867D+01 -0.246731D+01  0.896825D-01  0.335020D+00
               211           212           213           214           215 
      1   0.326122D+01 -0.896773D+01  0.101459D+02 -0.337927D+01  0.964507D+01
      2  -0.401505D+01  0.400222D+01 -0.775631D+00  0.183218D+01 -0.261490D+01
      3   0.753830D+00  0.496551D+01 -0.937024D+01  0.154708D+01 -0.703016D+01
      4   0.509924D+00  0.553214D+01 -0.542598D+01 -0.288994D+01 -0.556483D+01
      5  -0.378881D+01 -0.658386D+01  0.970896D+01  0.374675D+01  0.772655D+01
      6  -0.104224D+00 -0.777361D+01  0.807329D+01  0.168831D+01  0.913825D+01
               216           217           218           219           220 
      1  -0.210309D+02  0.328966D+01 -0.868063D+01  0.452812D+01 -0.113797D+02
      2  -0.332883D+01  0.258425D+00  0.752187D+01 -0.884899D+00  0.511951D+01
      3   0.243598D+02 -0.354808D+01  0.115876D+01 -0.364323D+01  0.626020D+01
      4   0.663314D+01 -0.274478D+01 -0.363036D+01  0.144627D+01  0.798322D+01
      5  -0.184709D+02  0.443141D+00 -0.807204D-01 -0.404053D+01 -0.692747D+01
      6  -0.110718D+02 -0.125294D+01 -0.303909D+01  0.166129D+01  0.154274D+01
               221           222           223           224           225 
      1  -0.206282D+02  0.178122D+01  0.228313D+01  0.815999D+00 -0.605272D+01
      2   0.327556D+02 -0.784366D+00 -0.119983D+01  0.236492D+01  0.247678D+01
      3  -0.121274D+02 -0.996855D+00 -0.108330D+01 -0.318092D+01  0.357594D+01
      4  -0.463280D+02  0.634651D+01  0.212049D+01 -0.286077D+01 -0.288708D+01
      5   0.400331D+01 -0.102440D+02  0.214766D+00 -0.304531D+01  0.138027D+01
      6  -0.158944D+02  0.761617D+01  0.248929D+00  0.477520D+01 -0.660718D+00
               226           227           228           229           230 
      1  -0.497195D+01  0.373006D+01  0.166359D+02  0.586742D+01 -0.895177D+01
      2  -0.151479D+01 -0.445161D-01  0.978965D+00 -0.262734D+01  0.364676D+01
      3   0.648674D+01 -0.368554D+01 -0.176149D+02 -0.324007D+01  0.530500D+01
      4   0.399619D+01 -0.571437D+01 -0.832287D+00 -0.120879D+01  0.152532D+01
      5   0.665171D+00  0.794140D+00 -0.100076D+02  0.260420D+01  0.460426D+01
      6   0.137405D+01 -0.357356D+01 -0.559344D+00 -0.143516D+01  0.293657D+01
               231           232           233           234           235 
      1  -0.687157D+01  0.173417D+02 -0.500340D+01 -0.244745D+02  0.837902D+02
      2  -0.397783D+01 -0.575545D+01 -0.150402D+01 -0.970169D+01 -0.466147D+02
      3   0.108494D+02 -0.115863D+02  0.650742D+01  0.341762D+02 -0.371755D+02
      4   0.613086D+01 -0.409850D+01  0.751287D+01  0.578055D+01 -0.135810D+02
      5   0.110601D+02  0.256289D+01  0.401664D+01  0.270501D+02  0.420171D+02
      6   0.647965D+01 -0.105317D+01  0.552508D+01  0.204668D+01 -0.127284D+01
               236           237           238           239           240 
      1  -0.362326D+01  0.213179D+02  0.481213D+01  0.599834D+01  0.126211D+01
      2   0.540000D+00 -0.157136D+02 -0.336896D+01 -0.156223D+01 -0.193825D+01
      3   0.308326D+01 -0.560429D+01 -0.144317D+01 -0.443612D+01  0.676147D+00
      4   0.131781D+02 -0.366765D+01  0.100349D+02 -0.260985D+01  0.340076D+01
      5  -0.196955D+01  0.244710D+02  0.301566D+01  0.436881D+01  0.335020D+01
      6   0.398243D+01 -0.181166D+01  0.348075D+01 -0.575099D+00  0.221181D+01
               241           242           243 
      1   0.118434D+02 -0.487367D+00  0.856906D+01
      2  -0.991185D+01 -0.267651D+00 -0.908113D+01
      3  -0.193151D+01  0.755018D+00  0.512064D+00
      4  -0.164087D+01  0.195338D+01 -0.341027D+00
      5   0.172893D+02  0.358692D+00  0.125849D+02
      6  -0.194176D+01  0.185805D+01 -0.519807D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Oct  6 14:26:46 2021, MaxMem=  6442450944 cpu:           41198.8 elap:            5160.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.90866 -10.13173 -10.06882 -10.06631 -10.05615
 Alpha  occ. eigenvalues --  -10.05144 -10.04820 -10.04344 -10.04206 -10.03850
 Alpha  occ. eigenvalues --  -10.03388  -1.12577  -0.97809  -0.90732  -0.85734
 Alpha  occ. eigenvalues --   -0.83993  -0.79918  -0.78457  -0.72024  -0.70229
 Alpha  occ. eigenvalues --   -0.64822  -0.62058  -0.58728  -0.58378  -0.56697
 Alpha  occ. eigenvalues --   -0.55494  -0.54572  -0.53482  -0.52090  -0.50325
 Alpha  occ. eigenvalues --   -0.49117  -0.48526  -0.47497  -0.46581  -0.45774
 Alpha  occ. eigenvalues --   -0.45300  -0.44856  -0.41374  -0.40884  -0.39695
 Alpha  occ. eigenvalues --   -0.35783  -0.34024
 Alpha virt. eigenvalues --    0.00913   0.02656   0.03329   0.03741   0.03956
 Alpha virt. eigenvalues --    0.05138   0.05396   0.05770   0.05838   0.05889
 Alpha virt. eigenvalues --    0.07243   0.07836   0.08318   0.08606   0.08937
 Alpha virt. eigenvalues --    0.09450   0.09568   0.10692   0.11789   0.11914
 Alpha virt. eigenvalues --    0.12218   0.13014   0.13114   0.13343   0.13717
 Alpha virt. eigenvalues --    0.13949   0.14642   0.15065   0.15356   0.15525
 Alpha virt. eigenvalues --    0.15750   0.15938   0.16113   0.17107   0.17261
 Alpha virt. eigenvalues --    0.17387   0.18148   0.18333   0.18681   0.18920
 Alpha virt. eigenvalues --    0.19047   0.19658   0.20077   0.20396   0.20718
 Alpha virt. eigenvalues --    0.21018   0.21708   0.22109   0.22809   0.22923
 Alpha virt. eigenvalues --    0.23617   0.23648   0.24122   0.25554   0.25886
 Alpha virt. eigenvalues --    0.26157   0.26465   0.26817   0.28120   0.28275
 Alpha virt. eigenvalues --    0.29110   0.29518   0.30070   0.30439   0.30715
 Alpha virt. eigenvalues --    0.31545   0.31844   0.32368   0.32832   0.33737
 Alpha virt. eigenvalues --    0.34381   0.34784   0.35401   0.35632   0.35743
 Alpha virt. eigenvalues --    0.36597   0.36942   0.37795   0.38508   0.38809
 Alpha virt. eigenvalues --    0.39174   0.39454   0.40238   0.40968   0.41650
 Alpha virt. eigenvalues --    0.41944   0.42467   0.42773   0.43295   0.43731
 Alpha virt. eigenvalues --    0.43870   0.44359   0.44793   0.45169   0.45645
 Alpha virt. eigenvalues --    0.46116   0.46465   0.47166   0.47848   0.48387
 Alpha virt. eigenvalues --    0.48811   0.49335   0.49780   0.50051   0.50388
 Alpha virt. eigenvalues --    0.51488   0.52561   0.52837   0.53423   0.54004
 Alpha virt. eigenvalues --    0.54397   0.55141   0.55951   0.56613   0.56766
 Alpha virt. eigenvalues --    0.57335   0.58491   0.58790   0.59203   0.59346
 Alpha virt. eigenvalues --    0.59751   0.60370   0.60749   0.61023   0.61708
 Alpha virt. eigenvalues --    0.62264   0.63214   0.63562   0.63816   0.63955
 Alpha virt. eigenvalues --    0.64435   0.64958   0.65070   0.65595   0.66379
 Alpha virt. eigenvalues --    0.67634   0.68062   0.68725   0.69234   0.70131
 Alpha virt. eigenvalues --    0.70481   0.71920   0.72111   0.72229   0.72845
 Alpha virt. eigenvalues --    0.73411   0.73573   0.74347   0.74945   0.75358
 Alpha virt. eigenvalues --    0.75904   0.76326   0.77140   0.77686   0.77976
 Alpha virt. eigenvalues --    0.78088   0.79018   0.79478   0.79792   0.80167
 Alpha virt. eigenvalues --    0.80744   0.81480   0.82649   0.83610   0.83969
 Alpha virt. eigenvalues --    0.84587   0.85761   0.86091   0.86718   0.86920
 Alpha virt. eigenvalues --    0.87674   0.88397   0.88674   0.89994   0.90365
 Alpha virt. eigenvalues --    0.91515   0.92978   0.93550   0.94755   0.95292
 Alpha virt. eigenvalues --    0.95623   0.96859   0.97443   0.97864   0.99567
 Alpha virt. eigenvalues --    1.00682   1.01965   1.03019   1.04526   1.05282
 Alpha virt. eigenvalues --    1.06430   1.06780   1.07694   1.08596   1.09583
 Alpha virt. eigenvalues --    1.10815   1.11287   1.13175   1.13926   1.14474
 Alpha virt. eigenvalues --    1.15548   1.18420   1.18942   1.19989   1.21061
 Alpha virt. eigenvalues --    1.22467   1.23606   1.24194   1.25677   1.27499
 Alpha virt. eigenvalues --    1.27934   1.29266   1.31259   1.31814   1.34788
 Alpha virt. eigenvalues --    1.35136   1.35860   1.37588   1.37914   1.40812
 Alpha virt. eigenvalues --    1.43762   1.45194   1.46595   1.47608   1.49149
 Alpha virt. eigenvalues --    1.51177   1.52359   1.52661   1.54852   1.55499
 Alpha virt. eigenvalues --    1.56932   1.58030   1.58450   1.59241   1.61950
 Alpha virt. eigenvalues --    1.62346   1.62881   1.63283   1.64792   1.66625
 Alpha virt. eigenvalues --    1.67243   1.67853   1.69185   1.70856   1.71695
 Alpha virt. eigenvalues --    1.72157   1.72678   1.74133   1.75268   1.76153
 Alpha virt. eigenvalues --    1.77237   1.77678   1.78157   1.79855   1.81987
 Alpha virt. eigenvalues --    1.82106   1.82702   1.84897   1.85381   1.86582
 Alpha virt. eigenvalues --    1.87382   1.88149   1.89087   1.89487   1.90647
 Alpha virt. eigenvalues --    1.92995   1.94156   1.95852   1.96437   1.97001
 Alpha virt. eigenvalues --    1.98817   1.99829   2.01099   2.02287   2.04793
 Alpha virt. eigenvalues --    2.06137   2.06523   2.06643   2.08059   2.09460
 Alpha virt. eigenvalues --    2.10411   2.10612   2.12297   2.13671   2.14902
 Alpha virt. eigenvalues --    2.16456   2.17131   2.18458   2.19186   2.19817
 Alpha virt. eigenvalues --    2.20954   2.21652   2.23197   2.23684   2.26563
 Alpha virt. eigenvalues --    2.28620   2.29023   2.29522   2.30897   2.31725
 Alpha virt. eigenvalues --    2.32981   2.34150   2.35765   2.38311   2.39180
 Alpha virt. eigenvalues --    2.40688   2.41532   2.42610   2.44089   2.45625
 Alpha virt. eigenvalues --    2.47440   2.47877   2.49868   2.51531   2.53793
 Alpha virt. eigenvalues --    2.54068   2.55823   2.55939   2.59518   2.60360
 Alpha virt. eigenvalues --    2.63380   2.63973   2.65776   2.67064   2.67739
 Alpha virt. eigenvalues --    2.68815   2.69770   2.70842   2.73907   2.74794
 Alpha virt. eigenvalues --    2.76062   2.79157   2.81184   2.83533   2.87127
 Alpha virt. eigenvalues --    2.88784   2.92886   2.95385   2.98488   3.01074
 Alpha virt. eigenvalues --    3.06335   3.10861   3.13231   3.24320   3.29059
 Alpha virt. eigenvalues --    3.39760   3.47058   3.48160   3.50036   3.52994
 Alpha virt. eigenvalues --    3.68644   3.71633   3.81917   4.06071   4.98179
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.919363  -0.528632  -0.154571  -0.590399   0.183950  -0.015271
     2  C   -0.528632   9.668524  -3.849795   1.786311  -0.726489  -0.042100
     3  C   -0.154571  -3.849795  25.000114 -10.478354   0.378909  -0.215251
     4  C   -0.590399   1.786311 -10.478354  19.175420  -5.342593  -1.324585
     5  C    0.183950  -0.726489   0.378909  -5.342593  16.091507  -2.280701
     6  C   -0.015271  -0.042100  -0.215251  -1.324585  -2.280701   9.425077
     7  O    0.000188  -0.000159  -0.011146  -0.048029  -0.149850   0.319820
     8  C   -0.264367  -0.093701  -0.138514  -0.054363  -0.101827   0.014947
     9  C   -0.438493  -1.039632   1.413529  -0.143339   0.067193  -0.018933
    10  C    0.202636   1.102699  -2.903944   0.912343  -0.238831  -0.050694
    11  C   -0.015311   0.021532  -0.161212  -0.035706  -0.195261   0.288923
    12  H    0.113172   0.163645  -0.232366   0.109774   0.043655   0.000369
    13  H    0.000536  -0.129227   0.316069  -0.128538  -0.010639  -0.000334
    14  H    0.151570   0.646577  -3.225590   0.870938  -0.005818  -0.017626
    15  H    0.176307   0.099814  -0.282364  -0.273035   0.190701  -0.015297
    16  H   -0.114675  -0.053261  -0.054568   0.516756  -0.116709   0.007037
    17  H   -0.213778   0.704604   0.259720  -0.280710   0.026167  -0.011464
    18  H    0.201203  -0.201758   0.193768  -0.050890   0.025230   0.001445
    19  H    0.374454  -0.079033  -0.704545   0.371862   0.006667   0.007777
    20  H   -0.071896   0.484141  -0.432956   0.228534  -0.052778  -0.000028
    21  H    0.014497  -0.056448   0.042670  -0.042102  -0.000451  -0.005304
    22  H    0.019610  -0.156850   0.240696  -0.043940   0.005603   0.001886
    23  H    0.046513  -0.132536   0.029984  -1.086375  -1.569862   0.128394
    24  H    0.011179  -0.006481  -0.130910   0.836261  -1.716445  -0.143186
    25  H    0.001619  -0.007086   0.015235   0.070537  -0.224541   0.025680
    26  H   -0.017262   0.021078  -0.006143   0.069872  -0.216328   0.025713
    27  H    0.000578  -0.001260   0.019651  -0.059836   0.376860  -0.040584
               7          8          9         10         11         12
     1  C    0.000188  -0.264367  -0.438493   0.202636  -0.015311   0.113172
     2  C   -0.000159  -0.093701  -1.039632   1.102699   0.021532   0.163645
     3  C   -0.011146  -0.138514   1.413529  -2.903944  -0.161212  -0.232366
     4  C   -0.048029  -0.054363  -0.143339   0.912343  -0.035706   0.109774
     5  C   -0.149850  -0.101827   0.067193  -0.238831  -0.195261   0.043655
     6  C    0.319820   0.014947  -0.018933  -0.050694   0.288923   0.000369
     7  O    8.444448   0.000215  -0.000807   0.001813   0.017150  -0.000039
     8  C    0.000215   5.833178  -0.359799   0.002220  -0.000016  -0.260532
     9  C   -0.000807  -0.359799   7.210792  -0.935270  -0.012874  -0.320948
    10  C    0.001813   0.002220  -0.935270   7.433334  -0.034109  -0.023880
    11  C    0.017150  -0.000016  -0.012874  -0.034109   4.925735   0.000905
    12  H   -0.000039  -0.260532  -0.320948  -0.023880   0.000905   2.586478
    13  H   -0.000008   0.087454  -0.413819   0.075199  -0.000898  -0.667159
    14  H   -0.000068  -0.161356  -0.330931   0.181430   0.030382   0.037192
    15  H   -0.000026   0.015731  -0.104961  -0.199659   0.000142   0.216622
    16  H   -0.000121   0.043939   0.096712  -0.344628  -0.001020  -0.233527
    17  H    0.000199   0.032905  -0.213910  -0.148646   0.001418  -0.002543
    18  H    0.000016  -0.051487   0.168595  -0.041567   0.001268   0.043322
    19  H   -0.000905   0.007650  -0.094848   0.166689  -0.006039  -0.004560
    20  H    0.000097   0.018426  -0.158459   0.241869  -0.000491  -0.021988
    21  H    0.000588   0.488111  -0.088564  -0.031737  -0.000877  -0.005826
    22  H   -0.000082  -0.001379   0.189305  -0.099227   0.000075  -0.025372
    23  H   -0.006323  -0.078604   0.072545  -0.280801   0.006147  -0.008095
    24  H   -0.093365   0.012441  -0.001657   0.009751  -0.099825   0.000031
    25  H    0.029642   0.002047  -0.002721  -0.007770   0.441458   0.000050
    26  H    0.031836  -0.002672   0.001510  -0.012905   0.452116   0.000401
    27  H   -0.038287   0.000555  -0.000369   0.003320  -0.062658   0.000044
              13         14         15         16         17         18
     1  C    0.000536   0.151570   0.176307  -0.114675  -0.213778   0.201203
     2  C   -0.129227   0.646577   0.099814  -0.053261   0.704604  -0.201758
     3  C    0.316069  -3.225590  -0.282364  -0.054568   0.259720   0.193768
     4  C   -0.128538   0.870938  -0.273035   0.516756  -0.280710  -0.050890
     5  C   -0.010639  -0.005818   0.190701  -0.116709   0.026167   0.025230
     6  C   -0.000334  -0.017626  -0.015297   0.007037  -0.011464   0.001445
     7  O   -0.000008  -0.000068  -0.000026  -0.000121   0.000199   0.000016
     8  C    0.087454  -0.161356   0.015731   0.043939   0.032905  -0.051487
     9  C   -0.413819  -0.330931  -0.104961   0.096712  -0.213910   0.168595
    10  C    0.075199   0.181430  -0.199659  -0.344628  -0.148646  -0.041567
    11  C   -0.000898   0.030382   0.000142  -0.001020   0.001418   0.001268
    12  H   -0.667159   0.037192   0.216622  -0.233527  -0.002543   0.043322
    13  H    2.496133   0.010771  -0.282721   0.156716  -0.028029  -0.053609
    14  H    0.010771   3.781867   0.134719  -0.185082   0.026230  -0.003577
    15  H   -0.282721   0.134719   2.661678  -0.672920  -0.015895   0.027329
    16  H    0.156716  -0.185082  -0.672920   2.452555  -0.022599  -0.007150
    17  H   -0.028029   0.026230  -0.015895  -0.022599   2.316883  -0.569678
    18  H   -0.053609  -0.003577   0.027329  -0.007150  -0.569678   2.080929
    19  H    0.020365   0.019834   0.008079   0.006074  -0.548970  -0.459686
    20  H    0.014655  -0.111933   0.008152   0.017715  -0.033303   0.008423
    21  H   -0.001756  -0.016150  -0.006404   0.002344   0.025818   0.007930
    22  H    0.018309   0.039817  -0.006683   0.000644   0.010992  -0.023210
    23  H    0.011732   0.092847  -0.174004   0.039998  -0.108997  -0.004547
    24  H   -0.000714  -0.179224   0.000245   0.005275  -0.015802   0.002681
    25  H   -0.000160   0.003400  -0.001551  -0.000835   0.004006   0.000738
    26  H   -0.000370   0.001736   0.000472  -0.001199   0.002797  -0.000678
    27  H   -0.000047   0.000018   0.001314   0.000293   0.000631  -0.000035
              19         20         21         22         23         24
     1  C    0.374454  -0.071896   0.014497   0.019610   0.046513   0.011179
     2  C   -0.079033   0.484141  -0.056448  -0.156850  -0.132536  -0.006481
     3  C   -0.704545  -0.432956   0.042670   0.240696   0.029984  -0.130910
     4  C    0.371862   0.228534  -0.042102  -0.043940  -1.086375   0.836261
     5  C    0.006667  -0.052778  -0.000451   0.005603  -1.569862  -1.716445
     6  C    0.007777  -0.000028  -0.005304   0.001886   0.128394  -0.143186
     7  O   -0.000905   0.000097   0.000588  -0.000082  -0.006323  -0.093365
     8  C    0.007650   0.018426   0.488111  -0.001379  -0.078604   0.012441
     9  C   -0.094848  -0.158459  -0.088564   0.189305   0.072545  -0.001657
    10  C    0.166689   0.241869  -0.031737  -0.099227  -0.280801   0.009751
    11  C   -0.006039  -0.000491  -0.000877   0.000075   0.006147  -0.099825
    12  H   -0.004560  -0.021988  -0.005826  -0.025372  -0.008095   0.000031
    13  H    0.020365   0.014655  -0.001756   0.018309   0.011732  -0.000714
    14  H    0.019834  -0.111933  -0.016150   0.039817   0.092847  -0.179224
    15  H    0.008079   0.008152  -0.006404  -0.006683  -0.174004   0.000245
    16  H    0.006074   0.017715   0.002344   0.000644   0.039998   0.005275
    17  H   -0.548970  -0.033303   0.025818   0.010992  -0.108997  -0.015802
    18  H   -0.459686   0.008423   0.007930  -0.023210  -0.004547   0.002681
    19  H    1.994548   0.024617  -0.052685   0.014949   0.032906   0.009884
    20  H    0.024617   1.916208  -0.384177  -0.437410   0.000461   0.013537
    21  H   -0.052685  -0.384177   1.497537  -0.295238  -0.008992  -0.004885
    22  H    0.014949  -0.437410  -0.295238   1.662022   0.000228  -0.001474
    23  H    0.032906   0.000461  -0.008992   0.000228   5.240380   0.261055
    24  H    0.009884   0.013537  -0.004885  -0.001474   0.261055   3.170572
    25  H   -0.003509  -0.000059   0.000530  -0.000054  -0.073542  -0.025339
    26  H   -0.010869  -0.000689   0.000491   0.000161  -0.067603  -0.021721
    27  H    0.001864   0.000117  -0.000387   0.000077  -0.007319   0.007574
              25         26         27
     1  C    0.001619  -0.017262   0.000578
     2  C   -0.007086   0.021078  -0.001260
     3  C    0.015235  -0.006143   0.019651
     4  C    0.070537   0.069872  -0.059836
     5  C   -0.224541  -0.216328   0.376860
     6  C    0.025680   0.025713  -0.040584
     7  O    0.029642   0.031836  -0.038287
     8  C    0.002047  -0.002672   0.000555
     9  C   -0.002721   0.001510  -0.000369
    10  C   -0.007770  -0.012905   0.003320
    11  C    0.441458   0.452116  -0.062658
    12  H    0.000050   0.000401   0.000044
    13  H   -0.000160  -0.000370  -0.000047
    14  H    0.003400   0.001736   0.000018
    15  H   -0.001551   0.000472   0.001314
    16  H   -0.000835  -0.001199   0.000293
    17  H    0.004006   0.002797   0.000631
    18  H    0.000738  -0.000678  -0.000035
    19  H   -0.003509  -0.010869   0.001864
    20  H   -0.000059  -0.000689   0.000117
    21  H    0.000530   0.000491  -0.000387
    22  H   -0.000054   0.000161   0.000077
    23  H   -0.073542  -0.067603  -0.007319
    24  H   -0.025339  -0.021721   0.007574
    25  H    1.138517  -0.122104  -0.285879
    26  H   -0.122104   1.143194  -0.292874
    27  H   -0.285879  -0.292874   1.710074
 Mulliken charges:
               1
     1  C    1.007280
     2  C   -1.594476
     3  C    1.071882
     4  C    1.034185
     5  C    1.552680
     6  C   -0.065710
     7  O   -0.496799
     8  C    1.008795
     9  C    1.460152
    10  C    1.020365
    11  C    0.439045
    12  H   -0.508824
    13  H   -0.489910
    14  H   -0.791971
    15  H   -0.505786
    16  H   -0.537765
    17  H   -0.198048
    18  H   -0.295005
    19  H   -0.102570
    20  H   -0.270785
    21  H   -0.078533
    22  H   -0.113457
    23  H   -1.355589
    24  H   -0.899458
    25  H    0.021694
    26  H    0.022040
    27  H   -0.333433
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.411657
     2  C   -1.594476
     3  C    0.279912
     4  C   -0.321405
     5  C    0.653222
     6  C   -0.065710
     7  O   -0.496799
     8  C    0.546020
     9  C    0.461418
    10  C   -0.023185
    11  C    0.149346
 Electronic spatial extent (au):  <R**2>=           2482.1975
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5670    Y=             -1.4503    Z=              1.5953  Tot=              4.1679
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.1854   YY=            -69.8916   ZZ=            -68.0375
   XY=             -5.8388   XZ=              6.9504   YZ=             -0.0644
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.4805   YY=              3.8132   ZZ=              5.6673
   XY=             -5.8388   XZ=              6.9504   YZ=             -0.0644
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -61.0520  YYY=             -1.0018  ZZZ=             -4.3833  XYY=              1.2276
  XXY=            -21.7082  XXZ=             27.7334  XZZ=             -0.4865  YZZ=              0.4863
  YYZ=              1.8505  XYZ=              2.8478
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2792.8279 YYYY=           -471.0565 ZZZZ=           -426.6241 XXXY=            -96.4354
 XXXZ=             97.1170 YYYX=              5.3574 YYYZ=             -2.6895 ZZZX=              4.1097
 ZZZY=             -0.5665 XXYY=           -508.6636 XXZZ=           -487.0650 YYZZ=           -147.9460
 XXYZ=             14.8838 YYXZ=              0.4311 ZZXY=              1.0833
 N-N= 6.081382990542D+02 E-N=-2.296524354765D+03  KE= 4.621101553587D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Oct  6 14:26:47 2021, MaxMem=  6442450944 cpu:               5.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.42079279D+00-5.59810245D-01 5.92930608D-01
 Polarizability= 1.60911171D+02 7.13297168D+00 1.05896492D+02
                -3.02958785D+00-4.33051648D+00 1.07218356D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.0271    2.0256        4.0987    4.0976
 2     -2.0271   -2.0256        2.3550    2.3542      -29.8068  -29.8127
 3     -4.0987   -4.0976       29.1992   29.2036       -2.3535   -2.3542
 4     -2.3550   -2.3542        0.0000    0.0000       -4.0992   -4.0976
 5      0.6075    0.6091        4.0992    4.0976        2.0265    2.0256
 6      2.3535    2.3542       -2.0265   -2.0256        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -6.0768   -6.0768       12.2927   12.2927
 2     -7.0627   -7.0627       -0.0000    0.0000       12.2927   12.2927
 3     -7.0627   -7.0627       -6.0768   -6.0768       -0.0000    0.0000
 4     -6.0768   -6.0768        7.0627    7.0627      -89.4380  -89.4380
 5    -12.2927  -12.2927       87.6108   87.6108       -7.0627   -7.0627
 6      1.8272    1.8272       12.2927   12.2927        6.0768    6.0768
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0215    0.0000       -8.0867   -8.1024      -16.3928  -16.3903
 2      8.0791    8.1024       -9.4381   -9.4170      119.2720  119.2506
 3     16.3683   16.3903     -116.8191 -116.8144        9.3945    9.4170
 4      9.4307    9.4170       -0.0105    0.0000       16.4028   16.3903
 5     -2.4189   -2.4362      -16.3717  -16.3903       -8.0940   -8.1024
 6     -9.3986   -9.4170        8.1157    8.1024       -0.0003    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0147    0.0000      -27.9299  -27.8926      -28.1124  -28.0964
 2     27.9180   27.8926       18.1133   18.1590       19.7754   19.8219
 3     28.0812   28.0964       60.1296   60.1278      -18.2261  -18.1590
 4    -18.1542  -18.1590        0.0057    0.0000       28.1070   28.0964
 5    -79.9274  -79.9497      -28.0313  -28.0964      -27.9327  -27.8926
 6     18.1445   18.1590       27.8938   27.8926        0.0127    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -31.5733  -31.5409      -38.3579  -38.3062      -12.1436  -12.1368
 2    -46.3494  -46.3652      -62.6751  -62.6296      -12.1468  -12.1368
 3    -46.3308  -46.3652      -38.3317  -38.3062       -3.6119   -3.6478
 4     24.2892   24.3234       14.7507   14.8243       44.5466   44.6149
 5      8.4177    8.4890       60.0440   60.1055      -14.9238  -14.8243
 6   -104.7220 -104.7204       -8.4069   -8.4890      -24.3192  -24.3234
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0003    0.0001    0.0008    2.3280    3.9918    9.0403
 Low frequencies ---   34.0682   64.4603   81.0821
 Diagonal vibrational polarizability:
       18.5500352      56.4003859      26.6129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.0659                64.4602                81.0789
 Red. masses --      4.0708                 3.1521                 2.9689
 Frc consts  --      0.0028                 0.0077                 0.0115
 IR Inten    --      3.2274                 0.4045                 1.5043
 RamAct Fr= 1--      2.6708                 1.0226                 0.3156
  Dep-P Fr= 1--      0.7290                 0.7186                 0.5123
  Dep-U Fr= 1--      0.8433                 0.8363                 0.6775
 Alpha2 Fr= 1--      0.0010                 0.0006                 0.0015
 Beta2  Fr= 1--      0.3754                 0.1425                 0.0356
 AlphaG Fr= 1--     -0.0016                 0.0010                 0.0041
 Gamma2 Fr= 1--     -0.0731                 0.1572                 0.0739
 Delta2 Fr= 1--      0.0052                -0.0402                 0.0059
 Raman1 Fr= 1--      10.683                  4.090                  1.262
 ROA1   Fr= 1--      -6.855                 13.800                  7.278
 CID1   Fr= 1--      -0.642                  3.374                  5.766
 Raman2 Fr= 1--       4.504                  1.710                  0.428
 ROA2   Fr= 1--      -1.797                  4.094                  1.726
 CID2   Fr= 1--      -0.399                  2.393                  4.035
 Raman3 Fr= 1--       9.009                  3.421                  0.855
 ROA3   Fr= 1--      -6.855                 13.800                  7.278
 CID3   Fr= 1--      -0.761                  4.034                  8.511
 RC180  Fr= 1--       0.687                  0.673                  0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.09  -0.03     0.05  -0.12  -0.00     0.22   0.04  -0.01
     2   6     0.05   0.01  -0.03     0.06  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.10  -0.03    -0.01  -0.09  -0.03    -0.02   0.03  -0.10
     4   6    -0.01  -0.12  -0.05    -0.01  -0.12  -0.05    -0.01   0.01  -0.13
     5   6    -0.04   0.00   0.02    -0.03  -0.07  -0.03     0.01   0.03  -0.07
     6   6    -0.04   0.04   0.03    -0.04   0.04   0.00    -0.03  -0.01   0.03
     7   8    -0.09   0.25   0.16    -0.05   0.02  -0.03     0.04  -0.06   0.09
     8   6     0.12   0.01  -0.11     0.21   0.04   0.08    -0.08  -0.04   0.02
     9   6    -0.03   0.03   0.07    -0.04   0.09  -0.04     0.02  -0.05   0.14
    10   6    -0.08  -0.06   0.07    -0.11  -0.02  -0.02    -0.00   0.02  -0.08
    11   6     0.02  -0.18  -0.11    -0.05   0.21   0.11    -0.17   0.03   0.08
    12   1    -0.04   0.01   0.08     0.02   0.16  -0.05    -0.15  -0.07   0.25
    13   1    -0.02   0.11   0.12    -0.11   0.15  -0.07     0.17  -0.11   0.25
    14   1    -0.02  -0.15  -0.05    -0.01  -0.09  -0.03    -0.06   0.07  -0.09
    15   1    -0.10  -0.03   0.10    -0.18  -0.04  -0.01     0.12  -0.03  -0.17
    16   1    -0.15  -0.11   0.10    -0.15  -0.03  -0.02    -0.12   0.09  -0.11
    17   1     0.05   0.10   0.03    -0.04  -0.15  -0.06     0.29   0.06  -0.01
    18   1     0.14   0.18  -0.01     0.08  -0.06   0.01     0.27   0.03   0.08
    19   1     0.15   0.06  -0.10     0.11  -0.21   0.03     0.24   0.08  -0.13
    20   1     0.08  -0.05  -0.10     0.20   0.11   0.08    -0.21  -0.07   0.04
    21   1     0.17  -0.03  -0.18     0.30  -0.07   0.09    -0.09   0.01  -0.10
    22   1     0.16   0.09  -0.09     0.26   0.12   0.11    -0.04  -0.07   0.11
    23   1     0.02  -0.22  -0.11     0.00  -0.12  -0.05    -0.02  -0.03  -0.16
    24   1    -0.07   0.11   0.09    -0.04  -0.08  -0.04     0.06   0.07  -0.05
    25   1     0.11  -0.18  -0.31    -0.05   0.20   0.26    -0.23   0.04   0.12
    26   1    -0.03  -0.38  -0.03    -0.05   0.33   0.04    -0.19   0.11   0.02
    27   1     0.01  -0.13  -0.09    -0.05   0.24   0.10    -0.18  -0.02   0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.2661               147.2191               161.0704
 Red. masses --      1.0300                 3.3943                 2.8014
 Frc consts  --      0.0094                 0.0433                 0.0428
 IR Inten    --      0.0338                 1.4184                 2.0693
 RamAct Fr= 1--      0.0591                 0.8478                 0.3592
  Dep-P Fr= 1--      0.6881                 0.6716                 0.4994
  Dep-U Fr= 1--      0.8152                 0.8035                 0.6661
 Alpha2 Fr= 1--      0.0001                 0.0012                 0.0018
 Beta2  Fr= 1--      0.0080                 0.1135                 0.0399
 AlphaG Fr= 1--     -0.0003                -0.0324                -0.0116
 Gamma2 Fr= 1--     -0.0367                -0.0397                -0.3282
 Delta2 Fr= 1--     -0.0086                 0.1049                -0.2018
 Raman1 Fr= 1--       0.237                  3.391                  1.437
 ROA1   Fr= 1--      -3.793                 -0.459                -37.962
 CID1   Fr= 1--     -16.034                 -0.135                -26.424
 Raman2 Fr= 1--       0.096                  1.363                  0.478
 ROA2   Fr= 1--      -0.811                 -1.793                 -6.262
 CID2   Fr= 1--      -8.409                 -1.316                -13.088
 Raman3 Fr= 1--       0.193                  2.725                  0.957
 ROA3   Fr= 1--      -3.793                 -0.459                -37.962
 CID3   Fr= 1--     -19.669                 -0.169                -39.669
 RC180  Fr= 1--       0.630                  0.607                  0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03   0.01  -0.02    -0.03  -0.08  -0.02
     2   6     0.00   0.00   0.00     0.01  -0.02  -0.01     0.00  -0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6    -0.00   0.01  -0.00    -0.01  -0.05   0.02     0.02   0.11  -0.07
     5   6     0.00  -0.00  -0.01    -0.08   0.29   0.23    -0.00   0.16  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.06   0.05    -0.03   0.04  -0.03
     7   8     0.01  -0.03  -0.01    -0.00  -0.14  -0.12     0.07  -0.05   0.03
     8   6     0.00   0.00   0.01     0.05  -0.03  -0.06     0.07   0.02   0.04
     9   6     0.00   0.00   0.00    -0.01  -0.02   0.01     0.02  -0.00  -0.05
    10   6    -0.00   0.00   0.00    -0.03  -0.02  -0.05     0.06  -0.07   0.20
    11   6    -0.01   0.01   0.01     0.04   0.01   0.00    -0.18  -0.05  -0.04
    12   1     0.00   0.00   0.00    -0.05  -0.01   0.04     0.19  -0.05  -0.18
    13   1    -0.00   0.00   0.00     0.02  -0.03   0.04    -0.12   0.10  -0.12
    14   1    -0.00   0.00  -0.00     0.03  -0.01   0.01    -0.11  -0.13  -0.06
    15   1     0.00   0.00   0.00    -0.03  -0.06  -0.09     0.03   0.12   0.39
    16   1    -0.00  -0.00   0.00    -0.06   0.03  -0.08     0.13  -0.30   0.32
    17   1     0.00  -0.00  -0.00     0.00   0.01   0.01    -0.04  -0.09  -0.05
    18   1     0.00  -0.01   0.00     0.06   0.06  -0.00    -0.04  -0.09  -0.03
    19   1     0.00  -0.00   0.00     0.07  -0.01  -0.06    -0.03  -0.10   0.03
    20   1    -0.00   0.01   0.01     0.01  -0.07  -0.06     0.08   0.08   0.04
    21   1     0.00   0.00   0.01     0.10  -0.06  -0.13     0.11  -0.03   0.06
    22   1     0.00   0.00   0.01     0.09   0.04  -0.04     0.09   0.05   0.05
    23   1    -0.00   0.03   0.01     0.04  -0.37  -0.18     0.08   0.11  -0.08
    24   1     0.01  -0.03  -0.02    -0.15   0.56   0.41     0.01   0.17  -0.06
    25   1     0.52  -0.11  -0.23     0.05   0.01  -0.05    -0.27  -0.01  -0.11
    26   1    -0.43  -0.39  -0.09     0.07  -0.06   0.05    -0.18  -0.03  -0.06
    27   1    -0.10   0.46   0.30     0.05  -0.01  -0.05    -0.19  -0.16   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.2189               245.1834               271.8350
 Red. masses --      1.3396                 1.7003                 2.6112
 Frc consts  --      0.0386                 0.0602                 0.1137
 IR Inten    --      0.0594                 0.6904                 0.6248
 RamAct Fr= 1--      0.4787                 0.6826                 2.8927
  Dep-P Fr= 1--      0.5586                 0.5133                 0.1499
  Dep-U Fr= 1--      0.7168                 0.6784                 0.2607
 Alpha2 Fr= 1--      0.0017                 0.0032                 0.0447
 Beta2  Fr= 1--      0.0572                 0.0772                 0.1257
 AlphaG Fr= 1--     -0.0006                 0.0088                 0.0000
 Gamma2 Fr= 1--     -0.4907                 0.0806                 0.9034
 Delta2 Fr= 1--     -0.0579                 0.2426                 0.0073
 Raman1 Fr= 1--       1.915                  2.730                 11.571
 ROA1   Fr= 1--     -48.964                 15.505                 86.961
 CID1   Fr= 1--     -25.570                  5.679                  7.516
 Raman2 Fr= 1--       0.686                  0.926                  1.508
 ROA2   Fr= 1--     -11.314                 -0.005                 21.623
 CID2   Fr= 1--     -16.486                 -0.006                 14.339
 Raman3 Fr= 1--       1.373                  1.852                  3.016
 ROA3   Fr= 1--     -48.964                 15.505                 86.961
 CID3   Fr= 1--     -35.673                  8.370                 28.833
 RC180  Fr= 1--       0.434                  0.357                 -0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.03    -0.08   0.05   0.08     0.16  -0.02  -0.06
     2   6     0.01   0.02  -0.02     0.03  -0.02   0.06     0.02  -0.01  -0.04
     3   6    -0.00  -0.02  -0.02     0.03  -0.00   0.05     0.02   0.04   0.02
     4   6     0.01  -0.05  -0.03     0.03  -0.01   0.00    -0.07   0.11   0.17
     5   6     0.01   0.00   0.02    -0.01   0.02  -0.04    -0.07  -0.04   0.05
     6   6     0.02  -0.00   0.01    -0.02   0.01  -0.04    -0.09  -0.00   0.02
     7   8     0.01  -0.00   0.00     0.00   0.01  -0.00    -0.13  -0.00  -0.05
     8   6    -0.10   0.01   0.03     0.10  -0.03  -0.04     0.05   0.01  -0.00
     9   6    -0.01   0.05  -0.03     0.03  -0.03   0.05     0.05  -0.04  -0.05
    10   6    -0.03  -0.01   0.05     0.03   0.01  -0.07     0.09  -0.00  -0.02
    11   6     0.04   0.01   0.01    -0.11   0.00  -0.03    -0.05  -0.03  -0.01
    12   1     0.06   0.06  -0.07    -0.05  -0.01   0.11     0.08  -0.05  -0.08
    13   1    -0.08   0.10  -0.05     0.11  -0.09   0.08     0.03  -0.05  -0.08
    14   1    -0.00  -0.06  -0.04     0.02   0.07   0.08     0.09   0.01   0.01
    15   1    -0.06   0.05   0.12     0.04  -0.09  -0.18     0.10   0.00  -0.02
    16   1    -0.03  -0.09   0.09    -0.00   0.14  -0.14     0.15   0.01  -0.03
    17   1    -0.04  -0.03  -0.04    -0.21   0.04   0.16    -0.11  -0.08  -0.06
    18   1     0.13   0.11   0.02    -0.10   0.17  -0.01     0.34   0.28   0.07
    19   1     0.16  -0.10  -0.09    -0.05  -0.01   0.11     0.40  -0.27  -0.21
    20   1     0.31   0.12  -0.03     0.54  -0.02  -0.12     0.13   0.05  -0.01
    21   1    -0.36   0.16   0.47    -0.05   0.01   0.32     0.05  -0.02   0.08
    22   1    -0.39  -0.28  -0.28    -0.15  -0.10  -0.41     0.02   0.01  -0.05
    23   1     0.01  -0.11  -0.07     0.06  -0.02  -0.01    -0.13   0.30   0.29
    24   1     0.01   0.06   0.05    -0.05   0.02  -0.03    -0.07  -0.22  -0.06
    25   1     0.05   0.00   0.03    -0.13   0.01  -0.05    -0.07  -0.03  -0.04
    26   1     0.04   0.01   0.02    -0.14   0.01  -0.06    -0.02  -0.06   0.03
    27   1     0.04   0.03   0.00    -0.12  -0.03   0.03    -0.04  -0.06  -0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    290.3689               315.3975               351.5791
 Red. masses --      1.1987                 2.1583                 2.4524
 Frc consts  --      0.0595                 0.1265                 0.1786
 IR Inten    --      0.0608                 0.1001                 0.3846
 RamAct Fr= 1--      1.1518                 1.2992                 1.0239
  Dep-P Fr= 1--      0.1381                 0.4474                 0.7444
  Dep-U Fr= 1--      0.2427                 0.6182                 0.8535
 Alpha2 Fr= 1--      0.0183                 0.0080                 0.0001
 Beta2  Fr= 1--      0.0466                 0.1339                 0.1456
 AlphaG Fr= 1--     -0.0198                 0.0168                -0.0004
 Gamma2 Fr= 1--      0.0571                -0.1410                -0.6375
 Delta2 Fr= 1--      0.0559                 0.0357                -0.1415
 Raman1 Fr= 1--       4.607                  5.197                  4.096
 ROA1   Fr= 1--       7.270                -12.393                -65.724
 CID1   Fr= 1--       1.578                 -2.385                -16.048
 Raman2 Fr= 1--       0.559                  1.606                  1.748
 ROA2   Fr= 1--       0.923                 -3.670                -14.167
 CID2   Fr= 1--       1.651                 -2.284                 -8.106
 Raman3 Fr= 1--       1.118                  3.213                  3.496
 ROA3   Fr= 1--       7.270                -12.393                -65.724
 CID3   Fr= 1--       6.501                 -3.857                -18.803
 RC180  Fr= 1--      -0.515                  0.236                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01  -0.01     0.00  -0.11  -0.06    -0.08   0.12  -0.05
     2   6     0.03   0.01  -0.01    -0.03  -0.00  -0.04    -0.02  -0.00  -0.06
     3   6     0.02  -0.01   0.01    -0.06   0.01  -0.05    -0.03   0.03  -0.11
     4   6    -0.01  -0.02   0.04    -0.05   0.15   0.00    -0.05  -0.02  -0.10
     5   6    -0.03  -0.01   0.02     0.02   0.03  -0.00    -0.01  -0.01   0.00
     6   6    -0.04  -0.00   0.00     0.02   0.02   0.04    -0.03  -0.04   0.03
     7   8    -0.05  -0.00  -0.02     0.04  -0.02   0.02    -0.07  -0.01   0.00
     8   6     0.01   0.01   0.01     0.08   0.02  -0.06     0.07   0.08   0.15
     9   6     0.03   0.02  -0.02    -0.07  -0.03   0.12     0.04  -0.13   0.02
    10   6     0.03  -0.00   0.00    -0.08  -0.01   0.01     0.10  -0.04   0.01
    11   6    -0.04  -0.01  -0.00     0.10  -0.01   0.01     0.07  -0.00   0.04
    12   1     0.06   0.03  -0.04    -0.24  -0.13   0.20    -0.05  -0.26   0.03
    13   1     0.01   0.03  -0.04     0.08  -0.02   0.27     0.14  -0.15   0.10
    14   1     0.05  -0.01   0.00    -0.09  -0.03  -0.08    -0.07   0.01  -0.11
    15   1     0.01   0.00   0.01    -0.01  -0.04  -0.04     0.23   0.06   0.05
    16   1     0.04  -0.01   0.00    -0.16   0.03  -0.01     0.09  -0.12   0.05
    17   1     0.58   0.12  -0.08     0.13  -0.12  -0.19    -0.12   0.15   0.11
    18   1    -0.14  -0.51  -0.01    -0.04  -0.31  -0.02    -0.12   0.21  -0.16
    19   1    -0.31   0.43   0.06    -0.08  -0.05   0.03    -0.10   0.15  -0.07
    20   1     0.12   0.05  -0.01     0.36   0.05  -0.11     0.13   0.37   0.16
    21   1    -0.05   0.04   0.12     0.05  -0.03   0.16     0.13  -0.07   0.35
    22   1    -0.06  -0.06  -0.07    -0.04   0.05  -0.28     0.09   0.06   0.20
    23   1    -0.01  -0.02   0.03    -0.10   0.32   0.11    -0.10  -0.10  -0.14
    24   1    -0.05  -0.02   0.02     0.11  -0.11  -0.10     0.05   0.07   0.04
    25   1    -0.04  -0.01  -0.01     0.10  -0.01  -0.00     0.12  -0.02   0.10
    26   1    -0.04  -0.01  -0.00     0.16  -0.05   0.07     0.11  -0.01   0.07
    27   1    -0.04  -0.01   0.00     0.12  -0.00  -0.07     0.08   0.07  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    372.0731               408.6510               454.2721
 Red. masses --      2.5053                 2.3769                 2.4725
 Frc consts  --      0.2043                 0.2339                 0.3006
 IR Inten    --      0.2199                 0.2040                 0.0456
 RamAct Fr= 1--      1.9949                 0.5834                 1.3714
  Dep-P Fr= 1--      0.2786                 0.6894                 0.4642
  Dep-U Fr= 1--      0.4358                 0.8162                 0.6341
 Alpha2 Fr= 1--      0.0218                 0.0006                 0.0079
 Beta2  Fr= 1--      0.1449                 0.0794                 0.1449
 AlphaG Fr= 1--      0.0246                -0.0094                -0.0363
 Gamma2 Fr= 1--      0.2683                 0.1365                -0.3692
 Delta2 Fr= 1--      0.2483                 0.1513                -0.1903
 Raman1 Fr= 1--       7.980                  2.334                  5.486
 ROA1   Fr= 1--      33.706                 17.949                -41.530
 CID1   Fr= 1--       4.224                  7.692                 -7.571
 Raman2 Fr= 1--       1.739                  0.952                  1.739
 ROA2   Fr= 1--       4.453                  2.066                 -7.338
 CID2   Fr= 1--       2.561                  2.170                 -4.219
 Raman3 Fr= 1--       3.478                  1.905                  3.478
 ROA3   Fr= 1--      33.706                 17.949                -41.530
 CID3   Fr= 1--       9.693                  9.424                -11.940
 RC180  Fr= 1--      -0.128                  0.632                  0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.15   0.02    -0.05   0.00  -0.12    -0.05   0.01   0.06
     2   6    -0.05  -0.09   0.02     0.04   0.04  -0.11     0.18  -0.01   0.00
     3   6    -0.04  -0.09   0.02     0.07  -0.09   0.00     0.05  -0.07  -0.11
     4   6    -0.01   0.09   0.04     0.05  -0.04   0.13    -0.01   0.08  -0.05
     5   6     0.01   0.04  -0.02     0.02  -0.02   0.06    -0.01   0.05  -0.03
     6   6     0.04   0.06   0.01     0.05   0.07  -0.02    -0.08   0.05   0.08
     7   8     0.09  -0.02   0.03     0.07   0.02  -0.04    -0.09  -0.05  -0.01
     8   6     0.03  -0.06   0.10    -0.05   0.08   0.07    -0.02  -0.07   0.02
     9   6    -0.08  -0.02  -0.11     0.01   0.00   0.08     0.10   0.11   0.03
    10   6    -0.10  -0.09  -0.08    -0.04  -0.05  -0.02    -0.03  -0.04  -0.02
    11   6     0.02   0.00  -0.02    -0.09   0.00  -0.05     0.04  -0.03   0.03
    12   1     0.04   0.11  -0.14    -0.19  -0.14   0.16     0.14   0.20   0.04
    13   1    -0.20  -0.04  -0.23     0.18   0.07   0.28     0.03   0.20   0.03
    14   1    -0.06  -0.09   0.02     0.20  -0.18  -0.04     0.00  -0.10  -0.12
    15   1    -0.21  -0.15  -0.09    -0.07  -0.18  -0.13    -0.04  -0.05  -0.03
    16   1    -0.07  -0.02  -0.11    -0.14   0.08  -0.08    -0.15  -0.05  -0.01
    17   1     0.21   0.25   0.25    -0.14  -0.02  -0.14    -0.21   0.00   0.15
    18   1     0.08   0.20   0.04    -0.10   0.02  -0.21    -0.19   0.08  -0.21
    19   1     0.01   0.33  -0.22    -0.06  -0.05  -0.02    -0.11  -0.02   0.27
    20   1     0.06   0.06   0.11    -0.19   0.27   0.11    -0.19  -0.14   0.04
    21   1     0.07  -0.14   0.19    -0.07   0.10   0.11    -0.15   0.12  -0.09
    22   1     0.04  -0.06   0.12    -0.00  -0.08   0.25    -0.05  -0.27   0.11
    23   1     0.00   0.28   0.15     0.03   0.06   0.18    -0.05   0.31   0.10
    24   1     0.04  -0.13  -0.12    -0.08  -0.13   0.00     0.12  -0.15  -0.16
    25   1    -0.01   0.02  -0.09    -0.20   0.04  -0.16     0.06  -0.02  -0.05
    26   1     0.05  -0.04   0.01    -0.15  -0.00  -0.09     0.16  -0.14   0.17
    27   1     0.03  -0.05  -0.04    -0.12  -0.14   0.09     0.08  -0.03  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    527.9901               575.3754               585.9863
 Red. masses --      2.7784                 3.2269                 2.8023
 Frc consts  --      0.4563                 0.6294                 0.5669
 IR Inten    --     10.2516                10.1770                 3.5327
 RamAct Fr= 1--      3.0002                 1.0399                 2.8765
  Dep-P Fr= 1--      0.2810                 0.7117                 0.0705
  Dep-U Fr= 1--      0.4387                 0.8316                 0.1317
 Alpha2 Fr= 1--      0.0325                 0.0007                 0.0541
 Beta2  Fr= 1--      0.2194                 0.1441                 0.0632
 AlphaG Fr= 1--     -0.0036                -0.0130                -0.1832
 Gamma2 Fr= 1--      0.4615                -0.7865                 0.5865
 Delta2 Fr= 1--     -0.0114                 0.0514                 0.0150
 Raman1 Fr= 1--      12.001                  4.159                 11.506
 ROA1   Fr= 1--      43.938                -73.861                 56.788
 CID1   Fr= 1--       3.661                -17.757                  4.936
 Raman2 Fr= 1--       2.633                  1.729                  0.758
 ROA2   Fr= 1--      11.167                -19.288                 13.957
 CID2   Fr= 1--       4.242                -11.152                 18.416
 Raman3 Fr= 1--       5.265                  3.459                  1.516
 ROA3   Fr= 1--      43.938                -73.861                 56.788
 CID3   Fr= 1--       8.345                -21.353                 37.466
 RC180  Fr= 1--      -0.123                  0.663                 -0.737
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.04     0.01  -0.01   0.05     0.01  -0.01   0.05
     2   6    -0.00   0.05  -0.02     0.01   0.02   0.03    -0.09   0.06   0.04
     3   6     0.03  -0.06   0.13    -0.04   0.04  -0.11     0.00  -0.05   0.08
     4   6     0.05  -0.01   0.03    -0.12  -0.13   0.02     0.09  -0.05  -0.09
     5   6    -0.10   0.07  -0.14    -0.11  -0.11   0.04     0.07  -0.02  -0.08
     6   6    -0.15  -0.04  -0.06    -0.04   0.20   0.04    -0.02   0.17   0.15
     7   8     0.01  -0.09   0.17     0.16  -0.08   0.07    -0.06  -0.03  -0.10
     8   6    -0.03   0.08  -0.01     0.00   0.01  -0.01    -0.04   0.14  -0.03
     9   6     0.03  -0.01  -0.00     0.04  -0.01  -0.00    -0.01  -0.06  -0.03
    10   6     0.02  -0.04  -0.01     0.05   0.04  -0.00     0.02  -0.04  -0.01
    11   6     0.06   0.05  -0.06     0.00   0.10  -0.13    -0.01  -0.03   0.09
    12   1    -0.01  -0.07  -0.00     0.07   0.01  -0.02     0.00  -0.11  -0.05
    13   1     0.06   0.01   0.04     0.01  -0.05  -0.05    -0.01  -0.10  -0.06
    14   1     0.07  -0.11   0.11     0.00   0.11  -0.07    -0.05  -0.06   0.07
    15   1    -0.06  -0.24  -0.17     0.18   0.22   0.12    -0.03  -0.18  -0.12
    16   1     0.04   0.19  -0.14     0.06  -0.15   0.10     0.05   0.12  -0.10
    17   1     0.01  -0.03  -0.13    -0.01  -0.01   0.05     0.06  -0.04  -0.10
    18   1     0.03  -0.04   0.03    -0.01  -0.02   0.02     0.10  -0.06   0.23
    19   1     0.03  -0.05  -0.03    -0.01  -0.01   0.11     0.07  -0.06  -0.02
    20   1    -0.07   0.11   0.00     0.03  -0.04  -0.02     0.01   0.11  -0.04
    21   1    -0.04   0.10  -0.01     0.00   0.02  -0.03     0.01   0.09  -0.04
    22   1    -0.02   0.04   0.04    -0.01   0.05  -0.05    -0.03   0.25  -0.08
    23   1     0.27  -0.02  -0.00    -0.31  -0.05   0.09     0.18   0.05  -0.04
    24   1    -0.19   0.11  -0.10    -0.24  -0.30  -0.06     0.20  -0.14  -0.16
    25   1     0.29  -0.03   0.16    -0.04   0.14  -0.44    -0.11   0.03  -0.33
    26   1     0.24   0.04   0.07     0.14  -0.17   0.10     0.11  -0.34   0.32
    27   1     0.12   0.33  -0.41     0.05  -0.04  -0.30     0.03  -0.28  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    618.6316               732.5006               796.9197
 Red. masses --      2.8782                 1.9296                 2.3502
 Frc consts  --      0.6490                 0.6100                 0.8794
 IR Inten    --      0.7427                 0.5621                 1.6301
 RamAct Fr= 1--      4.0607                 8.2671                15.7482
  Dep-P Fr= 1--      0.1023                 0.0278                 0.5972
  Dep-U Fr= 1--      0.1855                 0.0542                 0.7478
 Alpha2 Fr= 1--      0.0707                 0.1721                 0.0446
 Beta2  Fr= 1--      0.1256                 0.0746                 1.9629
 AlphaG Fr= 1--      0.1689                 0.3052                 0.0727
 Gamma2 Fr= 1--     -0.8183                 0.6410                 4.2433
 Delta2 Fr= 1--     -0.3189                -0.4000                -0.7380
 Raman1 Fr= 1--      16.243                 33.068                 62.993
 ROA1   Fr= 1--     -88.759                 48.737                383.743
 CID1   Fr= 1--      -5.465                  1.474                  6.092
 Raman2 Fr= 1--       1.507                  0.896                 23.554
 ROA2   Fr= 1--     -17.088                 18.584                107.744
 CID2   Fr= 1--     -11.340                 20.751                  4.574
 Raman3 Fr= 1--       3.014                  1.791                 47.109
 ROA3   Fr= 1--     -88.759                 48.737                383.743
 CID3   Fr= 1--     -29.451                 27.210                  8.146
 RC180  Fr= 1--      -0.629                 -0.892                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.13     0.02  -0.01   0.13     0.02   0.00  -0.00
     2   6    -0.02  -0.08  -0.05     0.00   0.01   0.00     0.11   0.02  -0.02
     3   6     0.09   0.07   0.06     0.09  -0.06  -0.10    -0.10  -0.02   0.11
     4   6     0.11  -0.05   0.01     0.07  -0.01   0.04    -0.10   0.00  -0.01
     5   6     0.03  -0.01  -0.08     0.02   0.05   0.02    -0.12   0.00  -0.09
     6   6    -0.08   0.08   0.06    -0.02  -0.04  -0.02     0.05   0.05  -0.04
     7   8    -0.04  -0.05  -0.00    -0.03  -0.00   0.02     0.07   0.04  -0.04
     8   6     0.04  -0.17   0.04    -0.02   0.09  -0.02     0.04   0.01  -0.01
     9   6    -0.12   0.04   0.01    -0.08  -0.06  -0.07    -0.02   0.01  -0.07
    10   6    -0.01   0.18   0.05    -0.04   0.03  -0.06     0.04   0.00  -0.03
    11   6    -0.01   0.01   0.01    -0.01  -0.00  -0.03     0.04  -0.08   0.14
    12   1    -0.31   0.01   0.13    -0.38  -0.05   0.13    -0.35  -0.01   0.14
    13   1     0.09  -0.04   0.15     0.21  -0.28   0.07     0.30  -0.12   0.15
    14   1     0.17   0.15   0.09     0.18  -0.02  -0.07    -0.16  -0.04   0.10
    15   1    -0.08   0.33   0.21    -0.16   0.33   0.27    -0.19   0.11   0.15
    16   1     0.12  -0.02   0.15     0.11  -0.38   0.16     0.38  -0.11   0.02
    17   1     0.02   0.05  -0.01     0.02  -0.01   0.14    -0.02  -0.01   0.01
    18   1    -0.01   0.07  -0.14     0.02  -0.01   0.14    -0.04  -0.00  -0.10
    19   1    -0.02   0.07  -0.26     0.02  -0.01   0.15    -0.01  -0.01   0.11
    20   1     0.03  -0.08   0.06    -0.03   0.08  -0.02    -0.10  -0.02   0.02
    21   1     0.07  -0.24   0.10    -0.04   0.12  -0.04    -0.12   0.21  -0.04
    22   1     0.06  -0.20   0.10    -0.03   0.08  -0.03    -0.02  -0.24   0.07
    23   1     0.22  -0.06  -0.01     0.06   0.15   0.13    -0.01  -0.06  -0.05
    24   1     0.01  -0.02  -0.08     0.03  -0.09  -0.06    -0.25   0.06  -0.05
    25   1     0.02   0.02  -0.15     0.04  -0.03   0.12     0.01  -0.07   0.09
    26   1     0.12  -0.17   0.19    -0.01   0.09  -0.07     0.03  -0.11   0.16
    27   1     0.03  -0.03  -0.17    -0.01   0.10  -0.05     0.03  -0.15   0.21
                     22                     23                     24
                      A                      A                      A
 Frequencies --    827.1019               863.7208               881.4980
 Red. masses --      2.4044                 1.9938                 1.9120
 Frc consts  --      0.9691                 0.8763                 0.8753
 IR Inten    --      2.3576                 0.2826                 0.3329
 RamAct Fr= 1--      9.0576                 3.6445                 5.0831
  Dep-P Fr= 1--      0.1157                 0.2133                 0.7486
  Dep-U Fr= 1--      0.2074                 0.3516                 0.8562
 Alpha2 Fr= 1--      0.1526                 0.0478                 0.0001
 Beta2  Fr= 1--      0.3131                 0.2136                 0.7254
 AlphaG Fr= 1--      0.2910                -0.3348                 0.0182
 Gamma2 Fr= 1--     -1.2211                 0.4691                -0.7906
 Delta2 Fr= 1--      1.0499                -0.8500                 0.8583
 Raman1 Fr= 1--      36.230                 14.578                 20.333
 ROA1   Fr= 1--     -83.632                 17.829                -48.426
 CID1   Fr= 1--      -2.308                  1.223                 -2.382
 Raman2 Fr= 1--       3.757                  2.563                  8.704
 ROA2   Fr= 1--     -37.707                 18.058                -25.840
 CID2   Fr= 1--     -10.037                  7.045                 -2.969
 Raman3 Fr= 1--       7.513                  5.126                 17.409
 ROA3   Fr= 1--     -83.632                 17.829                -48.426
 CID3   Fr= 1--     -11.131                  3.478                 -2.782
 RC180  Fr= 1--      -0.585                 -0.297                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.00     0.04  -0.01   0.04    -0.04   0.00  -0.02
     2   6    -0.09  -0.01   0.02     0.08  -0.02  -0.04    -0.09  -0.01   0.02
     3   6     0.07  -0.02  -0.10     0.03   0.11  -0.03     0.00   0.00  -0.01
     4   6     0.02  -0.08   0.05     0.03   0.08   0.11    -0.00   0.06   0.05
     5   6    -0.12   0.09  -0.07     0.02  -0.08  -0.09     0.01  -0.06  -0.04
     6   6     0.00   0.04  -0.09    -0.02   0.02  -0.02    -0.00   0.00  -0.00
     7   8     0.06   0.04  -0.04     0.01   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.04  -0.01   0.01     0.01   0.04  -0.02    -0.04  -0.02   0.01
     9   6     0.04   0.00   0.07    -0.05  -0.10   0.01     0.15   0.11   0.01
    10   6    -0.00   0.05   0.00    -0.09  -0.05   0.00    -0.02  -0.11  -0.09
    11   6     0.02  -0.11   0.15    -0.02   0.01   0.05    -0.01   0.02   0.02
    12   1     0.28   0.05  -0.08     0.16  -0.09  -0.13    -0.09   0.21   0.21
    13   1    -0.19   0.05  -0.12    -0.25  -0.03  -0.13     0.33   0.08   0.16
    14   1     0.23   0.04  -0.06     0.17   0.15  -0.01     0.01   0.11   0.04
    15   1     0.22   0.09  -0.05     0.10   0.01  -0.02    -0.16   0.13   0.20
    16   1    -0.26  -0.00   0.04    -0.30  -0.11   0.04    -0.04  -0.45   0.09
    17   1     0.01  -0.00  -0.02    -0.05  -0.00   0.14     0.06   0.01  -0.08
    18   1     0.03  -0.00   0.08    -0.08   0.01  -0.17     0.08  -0.00   0.18
    19   1     0.01   0.00  -0.08    -0.04   0.01   0.21     0.03  -0.01  -0.20
    20   1     0.09   0.02  -0.01    -0.04   0.09  -0.01     0.09  -0.00  -0.01
    21   1     0.11  -0.19   0.04    -0.05   0.11  -0.01     0.11  -0.22   0.04
    22   1     0.01   0.21  -0.05    -0.00  -0.06   0.02     0.01   0.24  -0.06
    23   1     0.05   0.15   0.18     0.12  -0.33  -0.15     0.06  -0.19  -0.11
    24   1    -0.32  -0.19  -0.22    -0.18   0.40   0.22    -0.06   0.23   0.14
    25   1     0.11  -0.16   0.32     0.03   0.01  -0.11    -0.00   0.02  -0.09
    26   1     0.07  -0.04   0.16     0.08  -0.16   0.21     0.03  -0.08   0.09
    27   1     0.02  -0.01   0.13     0.02  -0.06  -0.08     0.01  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --    913.0893               952.1969               963.7852
 Red. masses --      1.9413                 1.9210                 1.5680
 Frc consts  --      0.9536                 1.0262                 0.8581
 IR Inten    --      1.1701                 1.7604                 1.2755
 RamAct Fr= 1--     19.6390                 3.6238                 1.9823
  Dep-P Fr= 1--      0.3888                 0.5120                 0.7099
  Dep-U Fr= 1--      0.5599                 0.6773                 0.8304
 Alpha2 Fr= 1--      0.1513                 0.0169                 0.0014
 Beta2  Fr= 1--      1.8327                 0.4090                 0.2743
 AlphaG Fr= 1--     -0.3370                -0.0027                 0.0110
 Gamma2 Fr= 1--     -0.2706                -1.0884                -0.9970
 Delta2 Fr= 1--     -0.2621                -1.1455                -0.1180
 Raman1 Fr= 1--      78.556                 14.495                  7.929
 ROA1   Fr= 1--     -34.367               -141.139                -99.486
 CID1   Fr= 1--      -0.437                 -9.737                -12.547
 Raman2 Fr= 1--      21.992                  4.908                  3.292
 ROA2   Fr= 1--      -4.398                -16.957                -22.984
 CID2   Fr= 1--      -0.200                 -3.455                 -6.982
 Raman3 Fr= 1--      43.984                  9.817                  6.584
 ROA3   Fr= 1--     -34.367               -141.139                -99.486
 CID3   Fr= 1--      -0.781                -14.377                -15.110
 RC180  Fr= 1--       0.120                  0.355                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.14    -0.01   0.07   0.05    -0.01   0.06   0.06
     2   6    -0.06  -0.01  -0.09    -0.01   0.08  -0.03    -0.00   0.02  -0.06
     3   6     0.05  -0.05  -0.07     0.02   0.00   0.00    -0.03   0.06   0.03
     4   6    -0.03   0.05   0.02    -0.03   0.01  -0.01     0.03  -0.04  -0.00
     5   6    -0.01  -0.05  -0.03    -0.01  -0.01  -0.00     0.01   0.03   0.02
     6   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.04  -0.02     0.01  -0.10  -0.02     0.02  -0.06  -0.07
     9   6    -0.06   0.10  -0.03     0.13  -0.07  -0.08    -0.07   0.03   0.03
    10   6     0.10   0.03   0.06    -0.12   0.09   0.07     0.04  -0.10  -0.06
    11   6    -0.00   0.01   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    12   1    -0.20  -0.18  -0.04     0.03  -0.23  -0.07    -0.00   0.03  -0.01
    13   1     0.07   0.30   0.21     0.27  -0.29  -0.09    -0.17   0.27   0.08
    14   1     0.08  -0.33  -0.21     0.01  -0.11  -0.06     0.01   0.24   0.12
    15   1     0.04  -0.22  -0.15    -0.28  -0.04   0.01     0.24   0.05   0.01
    16   1     0.16   0.34  -0.11    -0.28   0.17   0.04     0.06  -0.23   0.01
    17   1     0.09   0.02   0.24    -0.03  -0.06  -0.38    -0.02  -0.05  -0.30
    18   1     0.07   0.03   0.22     0.04  -0.15   0.25     0.04  -0.14   0.26
    19   1     0.02   0.03  -0.04     0.09  -0.15   0.23     0.09  -0.13   0.21
    20   1    -0.01   0.14  -0.01    -0.02   0.16   0.01    -0.11   0.37  -0.01
    21   1     0.05  -0.16   0.08     0.05  -0.21   0.15     0.00  -0.13   0.19
    22   1     0.04  -0.02   0.05     0.08  -0.18   0.15     0.10  -0.29   0.22
    23   1    -0.06  -0.15  -0.10    -0.05  -0.01  -0.03     0.05   0.03   0.03
    24   1    -0.10   0.21   0.14    -0.01   0.04   0.02     0.05  -0.17  -0.11
    25   1     0.00   0.01  -0.06    -0.02   0.01  -0.02     0.02  -0.02   0.05
    26   1     0.02  -0.06   0.07    -0.01  -0.00  -0.01     0.01   0.03  -0.01
    27   1     0.01  -0.04  -0.02     0.00  -0.02   0.03    -0.01   0.04  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    971.5727               998.4452              1009.4657
 Red. masses --      1.6844                 1.6965                 1.4519
 Frc consts  --      0.9368                 0.9964                 0.8717
 IR Inten    --      0.9153                12.9928                 7.1808
 RamAct Fr= 1--      8.5751                42.7030                 8.3489
  Dep-P Fr= 1--      0.7500                 0.2805                 0.3872
  Dep-U Fr= 1--      0.8571                 0.4381                 0.5583
 Alpha2 Fr= 1--      0.0000                 0.4639                 0.0647
 Beta2  Fr= 1--      1.2250                 3.1182                 0.7768
 AlphaG Fr= 1--     -0.0017                -0.0272                 0.1566
 Gamma2 Fr= 1--      0.4277                 3.0809                -0.8485
 Delta2 Fr= 1--     -0.7884                 0.9002                -0.9292
 Raman1 Fr= 1--      34.300                170.812                 33.396
 ROA1   Fr= 1--      15.833                324.575               -111.189
 CID1   Fr= 1--       0.462                  1.900                 -3.329
 Raman2 Fr= 1--      14.700                 37.419                  9.322
 ROA2   Fr= 1--      16.573                 66.741                -12.930
 CID2   Fr= 1--       1.127                  1.784                 -1.387
 Raman3 Fr= 1--      29.400                 74.837                 18.644
 ROA3   Fr= 1--      15.833                324.575               -111.189
 CID3   Fr= 1--       0.539                  4.337                 -5.964
 RC180  Fr= 1--       0.714                 -0.124                  0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.05     0.04  -0.05   0.03    -0.08   0.01  -0.01
     2   6     0.01  -0.04  -0.06     0.01  -0.09  -0.05    -0.01   0.02   0.03
     3   6     0.00   0.13   0.04    -0.01  -0.01   0.06     0.03  -0.06  -0.03
     4   6     0.01  -0.05  -0.03    -0.02  -0.01  -0.01    -0.01   0.02   0.02
     5   6    -0.01   0.04   0.03    -0.06   0.03  -0.04    -0.05   0.00  -0.06
     6   6    -0.01   0.01  -0.01     0.02  -0.02   0.04     0.01  -0.02   0.03
     7   8     0.01   0.00  -0.00    -0.03  -0.02   0.03    -0.03  -0.02   0.03
     8   6     0.02   0.03  -0.01    -0.06   0.04  -0.09     0.08   0.01   0.02
     9   6     0.08   0.01  -0.07     0.05  -0.00   0.04    -0.02  -0.01   0.01
    10   6    -0.07  -0.05   0.04    -0.02   0.06  -0.01     0.01   0.02  -0.02
    11   6    -0.01  -0.02  -0.00     0.09   0.03  -0.03     0.09   0.03  -0.01
    12   1    -0.09  -0.37  -0.10     0.13   0.18   0.06     0.03  -0.14  -0.08
    13   1     0.23   0.24   0.21    -0.02  -0.04  -0.06    -0.06   0.05   0.01
    14   1    -0.02   0.23   0.09     0.05   0.01   0.07     0.10   0.10   0.05
    15   1    -0.03  -0.09  -0.02    -0.05   0.11   0.05     0.21   0.09  -0.02
    16   1    -0.28   0.01   0.02    -0.00   0.00   0.02    -0.17  -0.08   0.04
    17   1     0.14   0.06   0.39    -0.02   0.01   0.30     0.12   0.02  -0.13
    18   1     0.07   0.14   0.08    -0.06   0.06  -0.20     0.12  -0.01   0.33
    19   1    -0.03   0.12  -0.33    -0.06   0.06   0.06     0.05  -0.01  -0.30
    20   1    -0.05  -0.02  -0.00    -0.01   0.47  -0.06    -0.11  -0.18   0.04
    21   1    -0.05   0.13  -0.05     0.09  -0.24   0.17    -0.15   0.32  -0.10
    22   1    -0.02  -0.08  -0.01     0.07   0.10   0.10    -0.04  -0.26   0.01
    23   1    -0.05   0.03   0.02     0.10   0.03  -0.01     0.09   0.00  -0.01
    24   1     0.02  -0.26  -0.15     0.02  -0.01  -0.07    -0.05   0.12   0.01
    25   1     0.03  -0.04   0.08    -0.20   0.12  -0.18    -0.18   0.12  -0.19
    26   1     0.01   0.03  -0.01    -0.18   0.06  -0.24    -0.16   0.03  -0.19
    27   1    -0.01   0.05  -0.02     0.02  -0.21   0.35     0.02  -0.21   0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1024.1017              1027.2323              1050.5931
 Red. masses --      1.1525                 1.6953                 1.8800
 Frc consts  --      0.7122                 1.0540                 1.2225
 IR Inten    --     33.0745                 4.5664                 0.7627
 RamAct Fr= 1--      1.8045                 8.9020                 1.2630
  Dep-P Fr= 1--      0.6554                 0.5719                 0.6766
  Dep-U Fr= 1--      0.7918                 0.7276                 0.8071
 Alpha2 Fr= 1--      0.0031                 0.0299                 0.0016
 Beta2  Fr= 1--      0.2381                 1.0796                 0.1699
 AlphaG Fr= 1--     -0.2132                -0.2819                -0.0132
 Gamma2 Fr= 1--      0.0619                -2.1891                -0.1554
 Delta2 Fr= 1--      0.7209                -0.7121                 0.0112
 Raman1 Fr= 1--       7.218                 35.608                  5.052
 ROA1   Fr= 1--      29.012               -232.937                -14.565
 CID1   Fr= 1--       4.019                 -6.542                 -2.883
 Raman2 Fr= 1--       2.858                 12.955                  2.039
 ROA2   Fr= 1--      -4.281                -46.840                 -3.820
 CID2   Fr= 1--      -1.498                 -3.616                 -1.874
 Raman3 Fr= 1--       5.715                 25.910                  4.077
 ROA3   Fr= 1--      29.012               -232.937                -14.565
 CID3   Fr= 1--       5.076                 -8.990                 -3.572
 RC180  Fr= 1--       0.584                  0.455                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.06   0.04   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.07  -0.01    -0.00  -0.00   0.00
     3   6    -0.01   0.01   0.02     0.02   0.10  -0.01     0.00  -0.01  -0.00
     4   6     0.01  -0.07  -0.04     0.03  -0.06  -0.00    -0.01   0.04   0.03
     5   6     0.02  -0.05  -0.02    -0.04   0.02  -0.04     0.01  -0.06  -0.04
     6   6    -0.01   0.03   0.01    -0.00   0.00   0.02    -0.04   0.17   0.11
     7   8     0.01  -0.00  -0.01    -0.02  -0.02   0.02     0.01  -0.03  -0.02
     8   6     0.01   0.01  -0.02    -0.04  -0.05   0.09     0.00   0.00   0.00
     9   6     0.01  -0.00   0.01    -0.05   0.01  -0.06    -0.00  -0.00   0.00
    10   6    -0.01   0.01  -0.01    -0.00  -0.09   0.01     0.00   0.00   0.00
    11   6    -0.01  -0.02  -0.01     0.07   0.01  -0.01     0.03  -0.13  -0.08
    12   1     0.03   0.02   0.01    -0.17  -0.18  -0.05     0.00   0.00   0.00
    13   1    -0.00   0.01  -0.00     0.05   0.17   0.13    -0.00  -0.01  -0.01
    14   1    -0.04   0.00   0.01     0.15  -0.02  -0.07     0.00   0.01   0.00
    15   1     0.03   0.04   0.01    -0.01  -0.14  -0.03    -0.01  -0.00  -0.00
    16   1     0.00  -0.01   0.00     0.03  -0.03  -0.03    -0.01   0.00   0.00
    17   1     0.03   0.01   0.03    -0.13  -0.03  -0.09     0.00   0.00   0.00
    18   1     0.03   0.01   0.06    -0.09  -0.05  -0.18    -0.00   0.00  -0.01
    19   1     0.00   0.01  -0.08    -0.01  -0.03   0.33     0.00  -0.00   0.00
    20   1    -0.04   0.09  -0.01     0.19  -0.34   0.02    -0.00  -0.01   0.00
    21   1    -0.02   0.02   0.03     0.12  -0.18  -0.09    -0.00   0.01  -0.00
    22   1     0.02  -0.07   0.04    -0.04   0.31  -0.17    -0.00   0.00  -0.00
    23   1    -0.11   0.59   0.37     0.02   0.18   0.14     0.05  -0.25  -0.16
    24   1    -0.10   0.55   0.35    -0.10   0.10   0.01    -0.00   0.01   0.01
    25   1     0.03  -0.04   0.09    -0.14   0.07  -0.08     0.03  -0.18   0.57
    26   1     0.02   0.04  -0.01    -0.14   0.06  -0.18    -0.08   0.42  -0.42
    27   1    -0.01   0.07  -0.03     0.01  -0.14   0.28    -0.06   0.27   0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1098.3671              1159.2260              1183.7429
 Red. masses --      1.8148                 2.0627                 1.8543
 Frc consts  --      1.2900                 1.6331                 1.5309
 IR Inten    --     10.9360                 6.2171                15.5323
 RamAct Fr= 1--     51.6399                61.8883                27.5235
  Dep-P Fr= 1--      0.2417                 0.3251                 0.3560
  Dep-U Fr= 1--      0.3894                 0.4907                 0.5250
 Alpha2 Fr= 1--      0.6263                 0.5880                 0.2370
 Beta2  Fr= 1--      3.3510                 5.0615                 2.4085
 AlphaG Fr= 1--      0.3448                -0.4484                -0.2003
 Gamma2 Fr= 1--      1.0842                -5.7760                 0.4001
 Delta2 Fr= 1--      3.6525                -0.2489                 0.7112
 Raman1 Fr= 1--     206.560                247.553                110.094
 ROA1   Fr= 1--     220.961               -562.465                 61.166
 CID1   Fr= 1--       1.070                 -2.272                  0.556
 Raman2 Fr= 1--      40.212                 60.738                 28.902
 ROA2   Fr= 1--      -3.199               -136.634                  3.912
 CID2   Fr= 1--      -0.080                 -2.250                  0.135
 Raman3 Fr= 1--      80.424                121.476                 57.804
 ROA3   Fr= 1--     220.961               -562.465                 61.166
 CID3   Fr= 1--       2.747                 -4.630                  1.058
 RC180  Fr= 1--      -0.221                 -0.019                  0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.01   0.04  -0.03    -0.10   0.01   0.03
     2   6     0.02  -0.04   0.04     0.06  -0.06   0.06     0.18   0.00  -0.07
     3   6     0.16   0.13  -0.03     0.17  -0.11   0.06    -0.03   0.01   0.02
     4   6    -0.03  -0.00  -0.05    -0.12   0.06  -0.09    -0.01   0.00   0.00
     5   6    -0.03  -0.00   0.01    -0.03  -0.03   0.02    -0.01   0.00   0.00
     6   6    -0.02   0.01  -0.02     0.01  -0.01  -0.00     0.01  -0.00   0.01
     7   8     0.00  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00  -0.00
     8   6     0.01   0.03  -0.03    -0.06   0.03  -0.01    -0.07  -0.00   0.04
     9   6    -0.04  -0.02   0.03    -0.05  -0.00  -0.05     0.01  -0.10   0.03
    10   6    -0.01  -0.09   0.05     0.01   0.02   0.02    -0.09   0.04  -0.03
    11   6     0.03  -0.00   0.01    -0.02  -0.00   0.00    -0.01  -0.00  -0.00
    12   1    -0.05   0.41   0.20    -0.09  -0.24  -0.11     0.16   0.03  -0.03
    13   1    -0.08  -0.23  -0.13     0.00   0.23   0.14    -0.16   0.31   0.10
    14   1     0.10  -0.01  -0.10     0.12   0.55   0.40     0.04  -0.16  -0.07
    15   1    -0.44  -0.31   0.01     0.10   0.01  -0.03     0.03   0.16   0.03
    16   1     0.25   0.11  -0.07    -0.19  -0.02   0.05     0.48   0.06  -0.05
    17   1     0.06   0.01  -0.10    -0.04  -0.01  -0.15     0.19   0.03  -0.11
    18   1     0.06  -0.02   0.16    -0.02  -0.06  -0.03     0.12   0.01   0.37
    19   1     0.04  -0.03  -0.17     0.03  -0.05   0.09     0.09  -0.08  -0.24
    20   1    -0.06   0.12  -0.01     0.06   0.10  -0.02     0.19  -0.07  -0.01
    21   1    -0.04   0.08   0.02     0.06  -0.12   0.02     0.11  -0.17  -0.07
    22   1     0.02  -0.08   0.05     0.01   0.24  -0.02    -0.01   0.31  -0.08
    23   1    -0.29  -0.02  -0.04    -0.24   0.04  -0.09     0.05  -0.02  -0.02
    24   1    -0.15  -0.07  -0.02     0.09   0.07   0.07     0.04  -0.01  -0.01
    25   1    -0.04   0.02  -0.01     0.03  -0.02   0.02     0.01  -0.01   0.00
    26   1    -0.04  -0.00  -0.04     0.03  -0.02   0.04     0.01   0.01   0.01
    27   1     0.01  -0.05   0.10    -0.00   0.04  -0.07    -0.00   0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.0085              1224.8828              1246.2475
 Red. masses --      1.7103                 1.4930                 1.6681
 Frc consts  --      1.4511                 1.3197                 1.5265
 IR Inten    --      0.8222                 9.6472                16.3157
 RamAct Fr= 1--     35.9058                 9.3121                30.8185
  Dep-P Fr= 1--      0.3400                 0.5150                 0.3351
  Dep-U Fr= 1--      0.5075                 0.6799                 0.5019
 Alpha2 Fr= 1--      0.3255                 0.0428                 0.2838
 Beta2  Fr= 1--      3.0370                 1.0552                 2.5782
 AlphaG Fr= 1--      0.1552                -0.0934                -0.1498
 Gamma2 Fr= 1--      2.4394                -3.4654                -2.3599
 Delta2 Fr= 1--     -1.0290                -2.4368                -3.1009
 Raman1 Fr= 1--     143.623                 37.248                123.274
 ROA1   Fr= 1--     201.257               -410.655               -325.773
 CID1   Fr= 1--       1.401                -11.025                 -2.643
 Raman2 Fr= 1--      36.444                 12.662                 30.938
 ROA2   Fr= 1--      66.778                -63.675                -31.830
 CID2   Fr= 1--       1.832                 -5.029                 -1.029
 Raman3 Fr= 1--      72.887                 25.325                 61.876
 ROA3   Fr= 1--     201.257               -410.655               -325.773
 CID3   Fr= 1--       2.761                -16.216                 -5.265
 RC180  Fr= 1--       0.015                  0.360                  0.004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02   0.02     0.04   0.03  -0.01     0.01  -0.07  -0.02
     2   6    -0.10   0.05  -0.07    -0.11  -0.07   0.01     0.01   0.16   0.08
     3   6     0.06   0.02   0.09     0.02  -0.02  -0.03     0.03  -0.03  -0.03
     4   6    -0.11  -0.00  -0.06     0.04   0.01   0.01     0.01   0.01  -0.00
     5   6    -0.04  -0.00   0.00     0.03   0.00   0.00     0.02  -0.00   0.01
     6   6     0.03  -0.01   0.03    -0.03   0.01  -0.03    -0.03   0.01  -0.03
     7   8     0.02   0.02  -0.02    -0.01  -0.01   0.01    -0.00  -0.00   0.01
     8   6     0.05  -0.01   0.03     0.05   0.03   0.00    -0.01  -0.05  -0.04
     9   6     0.03  -0.02   0.06     0.06  -0.07   0.01    -0.01   0.05   0.07
    10   6    -0.02  -0.00  -0.06    -0.04   0.05  -0.02    -0.07  -0.04  -0.04
    11   6    -0.03  -0.00  -0.01     0.02   0.00   0.01     0.02   0.00   0.01
    12   1     0.14   0.00  -0.01     0.15  -0.08  -0.04     0.11  -0.54  -0.24
    13   1    -0.12   0.08  -0.01    -0.10   0.57   0.24    -0.07  -0.18  -0.13
    14   1     0.69  -0.26  -0.05    -0.25   0.12   0.03    -0.01   0.19   0.08
    15   1    -0.12   0.11   0.08    -0.33   0.05   0.08    -0.09   0.02   0.03
    16   1     0.12  -0.14   0.01     0.37   0.06  -0.04     0.51  -0.03  -0.07
    17   1    -0.04  -0.00   0.10    -0.12  -0.02  -0.06     0.03   0.01   0.19
    18   1    -0.02   0.02  -0.07    -0.05  -0.08  -0.08     0.01   0.14  -0.13
    19   1    -0.03   0.03   0.07    -0.00  -0.02   0.20    -0.09   0.12  -0.14
    20   1    -0.05  -0.17   0.03    -0.11  -0.04   0.02    -0.01   0.09  -0.02
    21   1    -0.03   0.11  -0.04    -0.08   0.19  -0.03     0.03  -0.16   0.14
    22   1    -0.04  -0.16  -0.02    -0.03  -0.10  -0.04     0.07  -0.08   0.12
    23   1     0.06   0.05  -0.06    -0.13  -0.03   0.01    -0.09  -0.02  -0.01
    24   1     0.39   0.06  -0.01    -0.17  -0.02   0.01    -0.04   0.00   0.02
    25   1     0.05  -0.02   0.02    -0.03   0.01  -0.00    -0.03   0.01   0.01
    26   1     0.04   0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.03  -0.00
    27   1    -0.01   0.07  -0.11     0.01  -0.04   0.07     0.01  -0.04   0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1258.3447              1275.9985              1279.1478
 Red. masses --      1.4693                 2.5264                 1.6112
 Frc consts  --      1.3707                 2.4235                 1.5532
 IR Inten    --      7.3910               127.9468                 6.1655
 RamAct Fr= 1--     34.3769                37.8192                 4.0897
  Dep-P Fr= 1--      0.3017                 0.2963                 0.7146
  Dep-U Fr= 1--      0.4635                 0.4571                 0.8336
 Alpha2 Fr= 1--      0.3508                 0.3923                 0.0025
 Beta2  Fr= 1--      2.6556                 2.8811                 0.5682
 AlphaG Fr= 1--      0.0371                 0.0835                 0.0233
 Gamma2 Fr= 1--      0.4000                 1.0615                 2.8007
 Delta2 Fr= 1--      0.9458                 0.3026                 2.0919
 Raman1 Fr= 1--     137.508                151.277                 16.359
 ROA1   Fr= 1--      68.662                111.585                335.811
 CID1   Fr= 1--       0.499                  0.738                 20.528
 Raman2 Fr= 1--      31.867                 34.573                  6.818
 ROA2   Fr= 1--       2.033                 23.055                 50.482
 CID2   Fr= 1--       0.064                  0.667                  7.404
 Raman3 Fr= 1--      63.734                 69.147                 13.636
 ROA3   Fr= 1--      68.662                111.585                335.811
 CID3   Fr= 1--       1.077                  1.614                 24.626
 RC180  Fr= 1--      -0.073                 -0.086                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.01   0.01   0.01    -0.01   0.04   0.03
     2   6    -0.03  -0.02   0.06    -0.02  -0.03  -0.01     0.01  -0.10  -0.12
     3   6    -0.01  -0.01  -0.06     0.00  -0.00  -0.06    -0.05  -0.01  -0.05
     4   6    -0.03  -0.02   0.04     0.01  -0.01   0.02    -0.01  -0.03   0.04
     5   6    -0.01  -0.00  -0.00    -0.08   0.04  -0.09    -0.01  -0.00  -0.00
     6   6    -0.02   0.01  -0.02     0.21  -0.09   0.22    -0.04   0.02  -0.04
     7   8     0.01   0.00  -0.00    -0.03   0.01  -0.03     0.02   0.00   0.00
     8   6     0.02   0.00  -0.02     0.01   0.01   0.00    -0.00   0.03   0.04
     9   6     0.04  -0.01  -0.07     0.02   0.04   0.02     0.00   0.09   0.07
    10   6    -0.11  -0.04   0.09    -0.04  -0.02   0.04     0.03  -0.01   0.02
    11   6     0.00   0.00   0.00    -0.08   0.00  -0.03     0.01   0.00   0.00
    12   1    -0.13   0.27   0.16     0.02  -0.09  -0.04     0.12  -0.22  -0.13
    13   1     0.16   0.03   0.06     0.04  -0.14  -0.06     0.03  -0.34  -0.16
    14   1     0.19   0.18   0.04     0.01   0.30   0.08    -0.02   0.40   0.15
    15   1     0.52  -0.00  -0.12    -0.04  -0.07  -0.01    -0.36  -0.11   0.06
    16   1     0.39   0.24  -0.08     0.29   0.13  -0.05     0.12   0.11  -0.04
    17   1    -0.04  -0.01  -0.02    -0.03  -0.01  -0.01    -0.00  -0.00  -0.09
    18   1    -0.02  -0.01  -0.06    -0.02  -0.02  -0.01    -0.00  -0.09   0.11
    19   1    -0.01   0.01   0.02     0.01  -0.01   0.04     0.07  -0.09   0.08
    20   1    -0.06   0.06  -0.00    -0.04  -0.01   0.01     0.02  -0.11   0.02
    21   1    -0.04   0.06   0.03    -0.02   0.05  -0.01     0.02   0.06  -0.12
    22   1     0.02  -0.05   0.03    -0.02  -0.02  -0.03    -0.08   0.06  -0.12
    23   1     0.24   0.02   0.03     0.13   0.02   0.02     0.17   0.03   0.06
    24   1     0.38   0.08   0.01    -0.50  -0.03  -0.09     0.46   0.10   0.01
    25   1     0.00  -0.00   0.02     0.11  -0.02  -0.18    -0.00  -0.00   0.04
    26   1     0.00  -0.02   0.01     0.06   0.20  -0.05     0.01  -0.04   0.02
    27   1    -0.01  -0.04   0.05    -0.01   0.26  -0.42    -0.01  -0.05   0.08
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1288.2398              1316.1144              1337.5015
 Red. masses --      1.7199                 1.8053                 1.3493
 Frc consts  --      1.6817                 1.8424                 1.4221
 IR Inten    --      8.1760                 7.2041                 0.3968
 RamAct Fr= 1--      2.8760                 1.2650                32.5047
  Dep-P Fr= 1--      0.7419                 0.7404                 0.2555
  Dep-U Fr= 1--      0.8518                 0.8509                 0.4070
 Alpha2 Fr= 1--      0.0004                 0.0002                 0.3794
 Beta2  Fr= 1--      0.4083                 0.1794                 2.2048
 AlphaG Fr= 1--      0.0081                -0.0096                 0.0671
 Gamma2 Fr= 1--     -1.4739                 1.3960                -0.3140
 Delta2 Fr= 1--     -2.0213                 1.2763                 0.1683
 Raman1 Fr= 1--      11.504                  5.060                130.019
 ROA1   Fr= 1--    -206.177                174.857                -24.758
 CID1   Fr= 1--     -17.922                 34.555                 -0.190
 Raman2 Fr= 1--       4.900                  2.153                 26.457
 ROA2   Fr= 1--     -19.204                 23.294                 -8.883
 CID2   Fr= 1--      -3.919                 10.820                 -0.336
 Raman3 Fr= 1--       9.800                  4.306                 52.915
 ROA3   Fr= 1--    -206.177                174.857                -24.758
 CID3   Fr= 1--     -21.039                 40.612                 -0.468
 RC180  Fr= 1--       0.704                  0.702                 -0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.00   0.05  -0.02    -0.00   0.00   0.01
     2   6    -0.04  -0.08  -0.10     0.03  -0.15   0.16     0.00  -0.02   0.01
     3   6     0.04  -0.01   0.09     0.01   0.08  -0.00    -0.02   0.01  -0.02
     4   6     0.02   0.04  -0.06    -0.01  -0.02   0.03    -0.01   0.05  -0.09
     5   6     0.06  -0.01   0.03    -0.04   0.01  -0.02    -0.01  -0.07   0.11
     6   6    -0.03   0.02  -0.03     0.01  -0.01   0.02    -0.02   0.01  -0.03
     7   8    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.00  -0.00   0.01
     8   6     0.01   0.03   0.04    -0.01   0.03  -0.04     0.00   0.00  -0.00
     9   6     0.02   0.09   0.03    -0.01   0.07   0.00    -0.00   0.00   0.00
    10   6    -0.10  -0.02  -0.01    -0.02   0.00  -0.04     0.01  -0.00   0.01
    11   6     0.02  -0.00   0.01    -0.01  -0.00  -0.00    -0.00   0.01  -0.01
    12   1     0.03  -0.10  -0.05     0.01  -0.51  -0.23     0.01  -0.03  -0.02
    13   1     0.09  -0.34  -0.16     0.07   0.03   0.05     0.01   0.01   0.01
    14   1    -0.03  -0.18  -0.01     0.01  -0.52  -0.30     0.16   0.05  -0.00
    15   1     0.54   0.19  -0.05     0.02   0.09   0.03    -0.11  -0.02   0.03
    16   1     0.19   0.01  -0.03     0.03  -0.06  -0.01     0.00   0.04  -0.01
    17   1    -0.05  -0.01  -0.06    -0.05  -0.03  -0.25     0.02  -0.01  -0.06
    18   1    -0.02  -0.10   0.04    -0.08  -0.10  -0.09    -0.03   0.02  -0.04
    19   1     0.05  -0.06   0.11     0.08  -0.05  -0.07     0.02  -0.01  -0.03
    20   1    -0.00  -0.13   0.02    -0.05   0.18  -0.02    -0.01   0.02   0.00
    21   1     0.01   0.07  -0.10    -0.07   0.08   0.06    -0.01   0.01   0.00
    22   1    -0.08  -0.01  -0.09     0.05   0.07   0.04     0.00   0.01  -0.00
    23   1    -0.29  -0.03  -0.06     0.11  -0.02   0.01     0.80   0.22  -0.10
    24   1    -0.42  -0.12   0.02     0.22   0.03  -0.03    -0.41  -0.15   0.11
    25   1    -0.04   0.01   0.02     0.02  -0.01  -0.01     0.02  -0.01   0.07
    26   1    -0.03  -0.03  -0.01     0.02   0.02   0.00     0.03  -0.05   0.04
    27   1     0.01  -0.03   0.05    -0.01   0.02  -0.02    -0.02  -0.06   0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1387.2563              1391.4858              1405.5931
 Red. masses --      1.4413                 1.3678                 1.3103
 Frc consts  --      1.6343                 1.5604                 1.5252
 IR Inten    --     36.1194                 9.5988                11.8555
 RamAct Fr= 1--      0.9519                 4.8323                 0.8254
  Dep-P Fr= 1--      0.1453                 0.3833                 0.2175
  Dep-U Fr= 1--      0.2537                 0.5542                 0.3573
 Alpha2 Fr= 1--      0.0149                 0.0380                 0.0107
 Beta2  Fr= 1--      0.0403                 0.4464                 0.0491
 AlphaG Fr= 1--      0.0055                 0.0084                -0.0172
 Gamma2 Fr= 1--     -0.1728                -0.6905                 0.0873
 Delta2 Fr= 1--     -0.0535                 0.0005                 0.1524
 Raman1 Fr= 1--       3.808                 19.329                  3.301
 ROA1   Fr= 1--     -18.301                -66.278                 13.260
 CID1   Fr= 1--      -4.806                 -3.429                  4.017
 Raman2 Fr= 1--       0.483                  5.356                  0.590
 ROA2   Fr= 1--      -3.719                -16.577                  0.877
 CID2   Fr= 1--      -7.700                 -3.095                  1.486
 Raman3 Fr= 1--       0.966                 10.713                  1.180
 ROA3   Fr= 1--     -18.301                -66.278                 13.260
 CID3   Fr= 1--     -18.945                 -6.187                 11.242
 RC180  Fr= 1--      -0.493                  0.108                 -0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01    -0.00   0.01   0.02     0.02  -0.01   0.09
     2   6     0.01  -0.02   0.03     0.02  -0.02   0.03    -0.01   0.03  -0.04
     3   6    -0.09  -0.02  -0.01    -0.11  -0.02  -0.01     0.03  -0.00   0.01
     4   6     0.01   0.01  -0.01     0.02   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.07   0.01   0.01     0.07   0.03  -0.03    -0.01  -0.00   0.00
     6   6    -0.04   0.02  -0.05     0.02  -0.01   0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.01   0.01    -0.02  -0.01   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01     0.03  -0.11   0.03
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01   0.01
    10   6     0.02   0.00   0.01     0.02   0.00   0.02    -0.01   0.00  -0.00
    11   6     0.03  -0.06   0.11    -0.01   0.05  -0.08    -0.00  -0.00   0.00
    12   1     0.03  -0.01  -0.03     0.04  -0.01  -0.03    -0.01   0.04   0.03
    13   1     0.06   0.01   0.05     0.07   0.01   0.05    -0.04  -0.02  -0.03
    14   1     0.49   0.07   0.04     0.59   0.09   0.05    -0.16   0.02   0.02
    15   1    -0.09  -0.03   0.03    -0.10  -0.04   0.02     0.03  -0.01  -0.03
    16   1    -0.01   0.05  -0.01     0.00   0.06  -0.01     0.01  -0.05   0.02
    17   1     0.01  -0.01  -0.08     0.00  -0.03  -0.11    -0.02  -0.13  -0.32
    18   1    -0.04  -0.01  -0.05    -0.06  -0.02  -0.08    -0.18   0.09  -0.31
    19   1     0.04  -0.01  -0.07     0.05  -0.00  -0.11     0.05   0.14  -0.33
    20   1     0.00   0.05  -0.00     0.00   0.07   0.00    -0.07   0.39   0.08
    21   1    -0.04   0.04   0.00    -0.06   0.06   0.00    -0.25   0.32  -0.16
    22   1     0.03   0.05   0.01     0.03   0.07   0.00     0.05   0.38  -0.22
    23   1    -0.13  -0.01  -0.01    -0.32  -0.06   0.01     0.01   0.00   0.00
    24   1    -0.11  -0.02   0.01    -0.22  -0.02  -0.04     0.05   0.01   0.00
    25   1    -0.14   0.05  -0.46     0.05  -0.02   0.37     0.00  -0.00  -0.02
    26   1    -0.20   0.34  -0.28     0.11  -0.30   0.19    -0.00   0.02  -0.01
    27   1     0.11   0.22  -0.32    -0.06  -0.16   0.24     0.00   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.6368              1471.4374              1479.9732
 Red. masses --      1.2283                 1.0568                 1.0473
 Frc consts  --      1.4626                 1.3481                 1.3515
 IR Inten    --      3.2955                10.2988                10.6960
 RamAct Fr= 1--      1.1721                 3.1663                 3.8682
  Dep-P Fr= 1--      0.7456                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8543                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1669                 0.4523                 0.5526
 AlphaG Fr= 1--     -0.0010                 0.0002                 0.0000
 Gamma2 Fr= 1--     -0.0352                -0.5575                -0.3773
 Delta2 Fr= 1--      0.0635                -0.2979                -0.2483
 Raman1 Fr= 1--       4.688                 12.665                 15.473
 ROA1   Fr= 1--      -1.351                -63.050                -44.167
 CID1   Fr= 1--      -0.288                 -4.978                 -2.855
 Raman2 Fr= 1--       2.003                  5.428                  6.631
 ROA2   Fr= 1--      -1.354                -10.996                 -7.070
 CID2   Fr= 1--      -0.676                 -2.026                 -1.066
 Raman3 Fr= 1--       4.005                 10.856                 13.262
 ROA3   Fr= 1--      -1.351                -63.050                -44.167
 CID3   Fr= 1--      -0.337                 -5.808                 -3.330
 RC180  Fr= 1--       0.709                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.10    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.02  -0.01
     7   8    -0.00  -0.00   0.00    -0.02  -0.01   0.02     0.00   0.00   0.00
     8   6     0.02  -0.09   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.05  -0.01  -0.01     0.01  -0.05  -0.03
    12   1     0.06  -0.02  -0.05     0.01   0.00  -0.00    -0.01  -0.00   0.01
    13   1     0.05  -0.04   0.03     0.01  -0.00   0.01    -0.01   0.00  -0.01
    14   1     0.07  -0.03  -0.01     0.03   0.00   0.01    -0.00   0.00   0.00
    15   1    -0.01   0.03   0.03    -0.00   0.01   0.01     0.00   0.01   0.01
    16   1    -0.01   0.03  -0.02    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    17   1     0.02   0.14   0.38     0.02   0.01   0.01     0.02   0.01   0.02
    18   1     0.24  -0.04   0.36    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
    19   1    -0.11  -0.11   0.41     0.02  -0.02   0.00     0.02  -0.03  -0.00
    20   1    -0.05   0.33   0.05    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    21   1    -0.25   0.29  -0.08    -0.00   0.00   0.01    -0.01   0.00   0.02
    22   1     0.09   0.35  -0.13     0.00   0.01   0.00     0.01   0.01   0.00
    23   1     0.01   0.00  -0.01    -0.05  -0.01  -0.00     0.00  -0.01  -0.00
    24   1    -0.02  -0.01  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.01     0.52  -0.12  -0.33    -0.44   0.11  -0.19
    26   1    -0.00  -0.01   0.00     0.41   0.49   0.06     0.40  -0.01   0.26
    27   1    -0.00  -0.00   0.00    -0.10  -0.23   0.35    -0.12   0.61   0.37
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.4752              1486.8291              1493.0115
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3870                 1.3624                 1.3988
 IR Inten    --      0.8346                 0.3767                 6.9142
 RamAct Fr= 1--      6.7968                 7.3160                 9.0691
  Dep-P Fr= 1--      0.6841                 0.7188                 0.7156
  Dep-U Fr= 1--      0.8124                 0.8364                 0.8342
 Alpha2 Fr= 1--      0.0079                 0.0039                 0.0054
 Beta2  Fr= 1--      0.9203                 1.0198                 1.2609
 AlphaG Fr= 1--      0.0098                 0.0091                -0.0252
 Gamma2 Fr= 1--      1.5459                -1.1623                -1.2304
 Delta2 Fr= 1--      0.2135                -0.7053                 0.4674
 Raman1 Fr= 1--      27.187                 29.264                 36.276
 ROA1   Fr= 1--     155.242               -134.151               -103.160
 CID1   Fr= 1--       5.710                 -4.584                 -2.844
 Raman2 Fr= 1--      11.044                 12.238                 15.131
 ROA2   Fr= 1--      35.394                -22.253                -33.269
 CID2   Fr= 1--       3.205                 -1.818                 -2.199
 Raman3 Fr= 1--      22.087                 24.475                 30.262
 ROA3   Fr= 1--     155.242               -134.151               -103.160
 CID3   Fr= 1--       7.029                 -5.481                 -3.409
 RC180  Fr= 1--       0.625                  0.673                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00     0.03   0.00  -0.00    -0.00   0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00    -0.01   0.00  -0.03
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.01   0.01   0.02    -0.04  -0.01   0.01    -0.01  -0.01  -0.04
     9   6    -0.05   0.00  -0.01    -0.01   0.00   0.00    -0.02   0.00   0.00
    10   6    -0.01   0.04   0.01    -0.00   0.01   0.00    -0.01   0.04   0.01
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.35   0.12  -0.20     0.07   0.02  -0.04     0.17   0.09  -0.09
    13   1     0.31  -0.08   0.26     0.06  -0.02   0.05     0.14  -0.06   0.11
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.00    -0.04   0.02   0.01
    15   1     0.02  -0.25  -0.26    -0.01  -0.07  -0.07     0.02  -0.25  -0.26
    16   1     0.10  -0.30   0.17     0.03  -0.07   0.04     0.10  -0.30   0.17
    17   1     0.13  -0.03  -0.15    -0.41  -0.09   0.02     0.02   0.05   0.12
    18   1     0.10   0.28   0.00     0.06  -0.18   0.17    -0.10  -0.17  -0.06
    19   1    -0.13   0.07   0.15    -0.14   0.26  -0.12     0.15  -0.14  -0.07
    20   1    -0.13   0.14   0.05     0.53   0.15  -0.08     0.08  -0.31  -0.06
    21   1     0.17  -0.13  -0.14     0.00   0.12  -0.41    -0.25   0.16   0.35
    22   1    -0.19  -0.15  -0.22     0.08  -0.18   0.29     0.28   0.24   0.30
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.01  -0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.02   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.00
    26   1     0.02   0.00   0.01     0.03   0.01   0.01    -0.01  -0.00  -0.01
    27   1    -0.01   0.03   0.02    -0.01   0.02   0.03     0.00  -0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.9881              1506.4665              1510.2449
 Red. masses --      1.1109                 1.0606                 1.0615
 Frc consts  --      1.4786                 1.4182                 1.4265
 IR Inten    --      2.2951                 7.2824                 6.3211
 RamAct Fr= 1--      4.9203                 4.1833                 1.7450
  Dep-P Fr= 1--      0.5253                 0.7439                 0.5852
  Dep-U Fr= 1--      0.6888                 0.8532                 0.7383
 Alpha2 Fr= 1--      0.0215                 0.0004                 0.0054
 Beta2  Fr= 1--      0.5648                 0.5948                 0.2147
 AlphaG Fr= 1--     -0.0026                 0.0018                -0.0002
 Gamma2 Fr= 1--     -0.0395                 0.5649                -0.1009
 Delta2 Fr= 1--     -0.1606                -0.8289                 0.2653
 Raman1 Fr= 1--      19.681                 16.733                  6.980
 ROA1   Fr= 1--      -8.928                 27.710                 -1.195
 CID1   Fr= 1--      -0.454                  1.656                 -0.171
 Raman2 Fr= 1--       6.778                  7.138                  2.577
 ROA2   Fr= 1--       0.337                 20.189                 -4.544
 CID2   Fr= 1--       0.050                  2.828                 -1.763
 Raman3 Fr= 1--      13.556                 14.276                  5.153
 ROA3   Fr= 1--      -8.928                 27.710                 -1.195
 CID3   Fr= 1--      -0.659                  1.941                 -0.232
 RC180  Fr= 1--       0.378                  0.706                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00  -0.04   0.01    -0.04  -0.00  -0.00
     2   6    -0.02   0.03   0.01    -0.01  -0.02  -0.02    -0.03  -0.01   0.01
     3   6     0.02  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01   0.00  -0.02    -0.02  -0.01   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.03   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.01    -0.00   0.02   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.37   0.16  -0.20     0.12   0.04  -0.06    -0.18  -0.09   0.10
    13   1     0.31  -0.08   0.28     0.10  -0.04   0.08    -0.15   0.05  -0.14
    14   1    -0.08   0.00  -0.00    -0.03   0.00   0.00     0.01   0.00   0.00
    15   1    -0.01   0.26   0.26    -0.01   0.19   0.19     0.01  -0.10  -0.11
    16   1    -0.09   0.28  -0.18    -0.06   0.22  -0.13     0.05  -0.11   0.07
    17   1     0.15   0.09   0.16     0.14  -0.09  -0.33     0.51   0.12  -0.01
    18   1    -0.18  -0.18  -0.18     0.18   0.48   0.02    -0.06   0.24  -0.21
    19   1     0.25  -0.27  -0.10    -0.26   0.21   0.22     0.15  -0.33   0.20
    20   1     0.12   0.08  -0.01     0.17  -0.20  -0.06     0.36   0.14  -0.05
    21   1     0.04  -0.00  -0.14    -0.16   0.13   0.15    -0.00   0.10  -0.31
    22   1    -0.02  -0.10   0.04     0.20   0.11   0.27     0.04  -0.14   0.18
    23   1     0.00   0.00   0.01    -0.02  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.00    -0.01   0.00   0.01
    26   1    -0.02  -0.01  -0.01     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    27   1     0.00  -0.00  -0.02    -0.00   0.01   0.00     0.00  -0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1692.7875              1736.9267              3018.5886
 Red. masses --      5.8220                 9.8999                 1.0347
 Frc consts  --      9.8295                17.5971                 5.5549
 IR Inten    --     54.9441               283.4844                24.8928
 RamAct Fr= 1--    532.2106               255.7829                83.3022
  Dep-P Fr= 1--      0.2850                 0.3281                 0.0410
  Dep-U Fr= 1--      0.4436                 0.4941                 0.0788
 Alpha2 Fr= 1--      5.7056                 2.4076                 1.6810
 Beta2  Fr= 1--     39.3511                21.0629                 1.0937
 AlphaG Fr= 1--      0.0526                 0.0453                -0.0131
 Gamma2 Fr= 1--      1.2650                 2.9389                -1.0100
 Delta2 Fr= 1--      0.7582                -0.2456                -1.2161
 Raman1 Fr= 1--    2128.843               1023.132                333.209
 ROA1   Fr= 1--     145.705                274.278               -135.878
 CID1   Fr= 1--       0.068                  0.268                 -0.408
 Raman2 Fr= 1--     472.213                252.755                 13.125
 ROA2   Fr= 1--      24.295                 72.499                -14.512
 CID2   Fr= 1--       0.051                  0.287                 -1.106
 Raman3 Fr= 1--     944.426                505.509                 26.249
 ROA3   Fr= 1--     145.705                274.278               -135.878
 CID3   Fr= 1--       0.154                  0.543                 -5.176
 RC180  Fr= 1--      -0.113                 -0.012                 -0.842
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.00     0.01   0.00   0.00     0.00  -0.00   0.00
     4   6     0.43   0.16  -0.12    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.40  -0.16   0.12    -0.06  -0.03   0.03    -0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.02     0.53   0.33  -0.35     0.00  -0.00   0.00
     7   8     0.05   0.02  -0.02    -0.34  -0.21   0.22    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.05  -0.00
     9   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6    -0.01  -0.00   0.00    -0.03  -0.02   0.03    -0.00  -0.00   0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.01   0.02
    14   1     0.24   0.04   0.02    -0.00   0.00   0.00    -0.00   0.02  -0.03
    15   1     0.02   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.03   0.03  -0.01     0.01   0.01  -0.01    -0.00   0.00  -0.00
    17   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.03  -0.13   0.03
    18   1    -0.01   0.01  -0.02    -0.00   0.00  -0.00    -0.14   0.05   0.08
    19   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.13   0.10   0.04
    20   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.08  -0.02   0.48
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.44  -0.34  -0.14
    22   1    -0.01  -0.03   0.00    -0.00  -0.01   0.00     0.49  -0.17  -0.29
    23   1    -0.53  -0.00  -0.15    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    24   1     0.40  -0.03   0.17     0.30   0.05   0.01    -0.00   0.00  -0.00
    25   1     0.04  -0.02  -0.01    -0.09  -0.01   0.19     0.00   0.00   0.00
    26   1     0.03   0.02   0.02    -0.05  -0.19   0.08     0.00  -0.00  -0.00
    27   1    -0.01   0.01  -0.01     0.04   0.16  -0.25     0.00   0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.9186              3040.8371              3050.9400
 Red. masses --      1.0351                 1.0371                 1.0668
 Frc consts  --      5.5875                 5.6501                 5.8505
 IR Inten    --     23.9058                 4.0204                26.1464
 RamAct Fr= 1--    199.7016               144.5092                38.7352
  Dep-P Fr= 1--      0.0210                 0.0073                 0.5870
  Dep-U Fr= 1--      0.0412                 0.0146                 0.7397
 Alpha2 Fr= 1--      4.2246                 3.1567                 0.1179
 Beta2  Fr= 1--      1.3705                 0.3513                 4.7757
 AlphaG Fr= 1--     -0.1184                -0.6450                 0.0876
 Gamma2 Fr= 1--      1.4704                 0.0672                -4.5073
 Delta2 Fr= 1--      0.7138                 1.2015                -3.5815
 Raman1 Fr= 1--     798.807                578.037                154.941
 ROA1   Fr= 1--     164.001                 44.897               -547.303
 CID1   Fr= 1--       0.205                  0.078                 -3.532
 Raman2 Fr= 1--      16.446                  4.216                 57.308
 ROA2   Fr= 1--      29.580                 -7.999                -79.522
 CID2   Fr= 1--       1.799                 -1.898                 -1.388
 Raman3 Fr= 1--      32.892                  8.431                114.616
 ROA3   Fr= 1--     164.001                 44.897               -547.303
 CID3   Fr= 1--       4.986                  5.325                 -4.775
 RC180  Fr= 1--      -0.918                 -0.971                  0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.05   0.00   0.01
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    11   6    -0.00  -0.00   0.00    -0.01  -0.03   0.04     0.00   0.00   0.00
    12   1    -0.03   0.02  -0.05     0.00  -0.00   0.00    -0.26   0.17  -0.42
    13   1    -0.03  -0.02   0.04     0.00   0.00  -0.00    -0.31  -0.21   0.36
    14   1    -0.00   0.03  -0.05    -0.00  -0.00   0.00    -0.01  -0.27   0.53
    15   1     0.01  -0.03   0.04    -0.00   0.00  -0.00    -0.07   0.17  -0.19
    16   1    -0.00  -0.01  -0.02     0.00   0.00   0.00     0.01   0.06   0.12
    17   1    -0.11   0.49  -0.13     0.00  -0.00   0.00     0.00  -0.01   0.00
    18   1     0.47  -0.16  -0.27    -0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.43  -0.34  -0.16     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.02  -0.01   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    21   1    -0.12  -0.09  -0.04     0.00   0.00   0.00     0.01   0.01   0.00
    22   1     0.13  -0.05  -0.08    -0.00   0.00   0.00     0.01  -0.00  -0.01
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.03
    24   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    25   1     0.00   0.00   0.00     0.16   0.62   0.07    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.35  -0.26  -0.48     0.00   0.00   0.00
    27   1    -0.00  -0.00  -0.00    -0.38  -0.03  -0.08    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.1192              3060.4671              3077.2194
 Red. masses --      1.0740                 1.0623                 1.1013
 Frc consts  --      5.9065                 5.8621                 6.1445
 IR Inten    --     26.2822                28.6226                11.8422
 RamAct Fr= 1--    251.4748               111.0472                41.6046
  Dep-P Fr= 1--      0.0460                 0.0727                 0.7082
  Dep-U Fr= 1--      0.0880                 0.1356                 0.8292
 Alpha2 Fr= 1--      5.0146                 2.0773                 0.0302
 Beta2  Fr= 1--      3.6881                 2.5098                 5.7495
 AlphaG Fr= 1--     -0.5135                -0.1414                -0.0053
 Gamma2 Fr= 1--      2.7935                 4.7740                 3.6053
 Delta2 Fr= 1--     -0.9216                -7.0834                 1.6309
 Raman1 Fr= 1--    1005.899                444.189                166.419
 ROA1   Fr= 1--     238.686                231.630                398.300
 CID1   Fr= 1--       0.237                  0.521                  2.393
 Raman2 Fr= 1--      44.257                 30.118                 68.994
 ROA2   Fr= 1--      74.417                171.242                 73.481
 CID2   Fr= 1--       1.681                  5.686                  1.065
 Raman3 Fr= 1--      88.514                 60.235                137.988
 ROA3   Fr= 1--     238.686                231.630                398.300
 CID3   Fr= 1--       2.697                  3.845                  2.886
 RC180  Fr= 1--      -0.824                 -0.729                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01  -0.00     0.02   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.03  -0.05    -0.00   0.01  -0.02     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.08  -0.02   0.02
     9   6    -0.04  -0.00  -0.01     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01   0.02    -0.02   0.06  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.26  -0.16   0.41    -0.09   0.05  -0.14    -0.01   0.00  -0.01
    13   1     0.25   0.17  -0.29    -0.00  -0.00   0.01     0.01   0.01  -0.02
    14   1    -0.01  -0.32   0.64    -0.00  -0.13   0.26     0.00   0.02  -0.03
    15   1    -0.05   0.13  -0.14     0.20  -0.49   0.55    -0.00   0.01  -0.01
    16   1    -0.00  -0.03  -0.05    -0.02  -0.23  -0.48     0.00   0.01   0.03
    17   1    -0.01   0.04  -0.01    -0.01   0.04  -0.01     0.00   0.03  -0.01
    18   1     0.03  -0.01  -0.02    -0.05   0.02   0.03    -0.16   0.06   0.10
    19   1    -0.05  -0.04  -0.02     0.03   0.02   0.01    -0.13  -0.10  -0.05
    20   1    -0.00  -0.00  -0.02    -0.01   0.00  -0.03    -0.03   0.00  -0.06
    21   1    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.49   0.41   0.16
    22   1     0.07  -0.03  -0.04     0.02  -0.01  -0.01     0.56  -0.22  -0.34
    23   1    -0.00   0.02  -0.03    -0.00   0.02  -0.03     0.00  -0.01   0.01
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.9332              3087.1375              3091.0159
 Red. masses --      1.1014                 1.1020                 1.1009
 Frc consts  --      6.1837                 6.1877                 6.1972
 IR Inten    --     44.1205                17.0886                36.1633
 RamAct Fr= 1--     95.4690                38.7336                49.7421
  Dep-P Fr= 1--      0.7140                 0.6672                 0.7264
  Dep-U Fr= 1--      0.8332                 0.8004                 0.8415
 Alpha2 Fr= 1--      0.0594                 0.0570                 0.0202
 Beta2  Fr= 1--     13.2567                 5.1668                 6.9763
 AlphaG Fr= 1--      0.0079                -0.2899                 0.0597
 Gamma2 Fr= 1--     11.6554                13.5491                -3.9728
 Delta2 Fr= 1--      4.2030                13.4350                -8.8521
 Raman1 Fr= 1--     381.876                154.934                198.969
 ROA1   Fr= 1--    1253.416               1730.636               -664.655
 CID1   Fr= 1--       3.282                 11.170                 -3.341
 Raman2 Fr= 1--     159.081                 62.001                 83.715
 ROA2   Fr= 1--     246.105                217.700                -24.530
 CID2   Fr= 1--       1.547                  3.511                 -0.293
 Raman3 Fr= 1--     318.161                124.003                167.431
 ROA3   Fr= 1--    1253.416               1730.636               -664.655
 CID3   Fr= 1--       3.940                 13.956                 -3.970
 RC180  Fr= 1--       0.666                  0.601                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.01     0.00   0.03   0.00    -0.00  -0.09  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.02  -0.00   0.00    -0.01  -0.02  -0.08    -0.01  -0.01  -0.02
     9   6     0.00   0.00  -0.01    -0.00  -0.01   0.02    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.03  -0.02   0.05    -0.07   0.04  -0.10     0.03  -0.02   0.04
    13   1    -0.03  -0.02   0.04     0.11   0.07  -0.12    -0.01  -0.01   0.02
    14   1     0.00   0.00  -0.00    -0.00  -0.03   0.07    -0.00  -0.01   0.02
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.01    -0.01   0.01  -0.02
    16   1    -0.00  -0.03  -0.06     0.00  -0.00  -0.00     0.00   0.03   0.07
    17   1     0.02  -0.19   0.06     0.05  -0.21   0.06    -0.17   0.73  -0.21
    18   1     0.61  -0.22  -0.37     0.04  -0.01  -0.02    -0.16   0.03   0.10
    19   1     0.41   0.34   0.17    -0.11  -0.08  -0.04     0.39   0.28   0.15
    20   1    -0.00  -0.00   0.01     0.14  -0.06   0.79     0.04  -0.02   0.24
    21   1     0.14   0.12   0.05     0.28   0.22   0.07     0.11   0.09   0.03
    22   1     0.15  -0.06  -0.09    -0.24   0.09   0.13    -0.06   0.02   0.03
    23   1    -0.00   0.02  -0.03    -0.00   0.01  -0.02     0.00  -0.01   0.02
    24   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.5215              3096.6035              3113.7915
 Red. masses --      1.1066                 1.0993                 1.1071
 Frc consts  --      6.2475                 6.2105                 6.3243
 IR Inten    --     21.5533                 8.4025                47.4700
 RamAct Fr= 1--    104.6749                31.9430                95.0762
  Dep-P Fr= 1--      0.4756                 0.7486                 0.5435
  Dep-U Fr= 1--      0.6446                 0.8562                 0.7042
 Alpha2 Fr= 1--      0.5767                 0.0008                 0.3770
 Beta2  Fr= 1--     11.2463                 4.5583                11.1589
 AlphaG Fr= 1--      0.4233                -0.0411                 0.1215
 Gamma2 Fr= 1--     -4.7324                -1.2069                -7.0680
 Delta2 Fr= 1--     10.3037                -1.1762               -10.2121
 Raman1 Fr= 1--     418.699                127.772                380.305
 ROA1   Fr= 1--    -124.589               -153.501              -1005.319
 CID1   Fr= 1--      -0.298                 -1.201                 -2.643
 Raman2 Fr= 1--     134.956                 54.700                133.907
 ROA2   Fr= 1--    -196.006                -19.556                -87.936
 CID2   Fr= 1--      -1.452                 -0.358                 -0.657
 Raman3 Fr= 1--     269.911                109.400                267.814
 ROA3   Fr= 1--    -124.589               -153.501              -1005.319
 CID3   Fr= 1--      -0.462                 -1.403                 -3.754
 RC180  Fr= 1--       0.289                  0.712                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.00   0.01  -0.01
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.04  -0.07     0.00   0.00  -0.00    -0.00   0.02  -0.04
    10   6     0.00   0.01   0.04     0.00  -0.00   0.00    -0.01   0.00  -0.08
    11   6     0.00   0.00   0.00     0.02  -0.08  -0.05     0.00   0.00   0.00
    12   1     0.28  -0.16   0.42     0.00  -0.00   0.00     0.19  -0.11   0.28
    13   1    -0.41  -0.26   0.43    -0.00  -0.00   0.00    -0.19  -0.12   0.20
    14   1     0.00   0.03  -0.06     0.00  -0.00   0.00    -0.00  -0.06   0.11
    15   1    -0.04   0.11  -0.11    -0.00   0.00  -0.00     0.14  -0.34   0.36
    16   1    -0.02  -0.21  -0.40     0.00  -0.00   0.00     0.02   0.32   0.60
    17   1     0.01  -0.04   0.01    -0.00   0.00  -0.00     0.02  -0.07   0.02
    18   1    -0.06   0.03   0.04     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.07  -0.06  -0.03     0.00   0.00   0.00    -0.04  -0.03  -0.01
    20   1     0.03  -0.01   0.15     0.00  -0.00   0.00     0.01  -0.01   0.06
    21   1     0.06   0.05   0.02     0.00   0.00   0.00     0.02   0.01   0.00
    22   1    -0.05   0.02   0.02    -0.00   0.00   0.00    -0.01   0.00   0.01
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.03  -0.05
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.19   0.68   0.06     0.00   0.00   0.00
    26   1     0.00  -0.00  -0.00    -0.39   0.26   0.53     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00  -0.02  -0.01    -0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3145.2081              3147.1515              3158.3821
 Red. masses --      1.0953                 1.0952                 1.0873
 Frc consts  --      6.3840                 6.3910                 6.3906
 IR Inten    --     13.0724                 4.9024                12.1865
 RamAct Fr= 1--     93.1739                61.8362                36.6026
  Dep-P Fr= 1--      0.2109                 0.6654                 0.2079
  Dep-U Fr= 1--      0.3484                 0.7991                 0.3443
 Alpha2 Fr= 1--      1.2289                 0.0930                 0.4867
 Beta2  Fr= 1--      5.4102                 8.2356                 2.1001
 AlphaG Fr= 1--      0.0618                -0.0265                 0.3684
 Gamma2 Fr= 1--     -3.4048                -2.9150                 4.8398
 Delta2 Fr= 1--     -0.4597                -3.6198                 2.6942
 Raman1 Fr= 1--     372.696                247.345                146.411
 ROA1   Fr= 1--    -341.572               -395.672                550.837
 CID1   Fr= 1--      -0.916                 -1.600                  3.762
 Raman2 Fr= 1--      64.922                 98.827                 25.202
 ROA2   Fr= 1--     -78.038                -41.002                 94.602
 CID2   Fr= 1--      -1.202                 -0.415                  3.754
 Raman3 Fr= 1--     129.844                197.654                 50.403
 ROA3   Fr= 1--    -341.572               -395.672                550.837
 CID3   Fr= 1--      -2.631                 -2.002                 10.929
 RC180  Fr= 1--      -0.303                  0.598                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.03  -0.05     0.00  -0.03   0.05    -0.01   0.01  -0.02
     5   6    -0.00  -0.01   0.02     0.00   0.01  -0.02    -0.01   0.04  -0.07
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06  -0.01  -0.00    -0.06  -0.01  -0.00     0.01   0.00   0.00
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    13   1    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    14   1    -0.00  -0.02   0.04     0.00   0.02  -0.04     0.00  -0.02   0.04
    15   1     0.01  -0.02   0.02    -0.01   0.02  -0.02     0.00  -0.01   0.01
    16   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.01
    17   1     0.01  -0.03   0.01    -0.01   0.03  -0.01     0.00  -0.01   0.00
    18   1     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.07  -0.34   0.57    -0.07   0.34  -0.56     0.03  -0.17   0.29
    24   1    -0.02   0.10  -0.16     0.02  -0.15   0.24     0.08  -0.48   0.80
    25   1     0.04   0.18   0.02     0.04   0.19   0.02    -0.00  -0.02  -0.00
    26   1     0.09  -0.07  -0.14     0.10  -0.08  -0.15    -0.01   0.01   0.01
    27   1     0.65   0.04   0.15     0.61   0.04   0.14    -0.06  -0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   843.955453611.893103665.80758
           X            0.99982  -0.01289   0.01425
           Y            0.01449   0.99285  -0.11849
           Z           -0.01262   0.11868   0.99285
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10263     0.02398     0.02363
 Rotational constants (GHZ):           2.13843     0.49967     0.49232
 Zero-point vibrational energy     622373.4 (Joules/Mol)
                                  148.75082 (Kcal/Mol)
 Warning -- explicit consideration of  19 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.01    92.74   116.65   178.79   211.82
          (Kelvin)            231.74   318.28   352.76   391.11   417.78
                              453.79   505.84   535.33   587.96   653.60
                              759.66   827.84   843.10   890.07  1053.90
                             1146.59  1190.02  1242.70  1268.28  1313.73
                             1370.00  1386.67  1397.88  1436.54  1452.40
                             1473.45  1477.96  1511.57  1580.31  1667.87
                             1703.14  1726.54  1762.33  1793.07  1810.48
                             1835.88  1840.41  1853.49  1893.60  1924.37
                             1995.95  2002.04  2022.34  2045.42  2117.07
                             2129.35  2134.39  2139.22  2148.11  2162.46
                             2167.47  2172.91  2435.54  2499.05  4343.08
                             4355.06  4375.09  4389.62  4395.64  4403.33
                             4427.43  4441.41  4441.70  4447.28  4453.77
                             4455.32  4480.05  4525.25  4528.05  4544.21
 
 Zero-point correction=                           0.237050 (Hartree/Particle)
 Thermal correction to Energy=                    0.249526
 Thermal correction to Enthalpy=                  0.250471
 Thermal correction to Gibbs Free Energy=         0.198060
 Sum of electronic and zero-point Energies=           -465.874976
 Sum of electronic and thermal Energies=              -465.862500
 Sum of electronic and thermal Enthalpies=            -465.861555
 Sum of electronic and thermal Free Energies=         -465.913966
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.580             46.421            110.307
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.792
 Vibrational            154.803             40.460             38.546
 Vibration     1          0.594              1.983              5.577
 Vibration     2          0.597              1.971              4.316
 Vibration     3          0.600              1.962              3.865
 Vibration     4          0.610              1.929              3.033
 Vibration     5          0.617              1.906              2.708
 Vibration     6          0.622              1.890              2.537
 Vibration     7          0.648              1.809              1.949
 Vibration     8          0.660              1.771              1.765
 Vibration     9          0.675              1.725              1.585
 Vibration    10          0.686              1.692              1.472
 Vibration    11          0.703              1.644              1.334
 Vibration    12          0.728              1.572              1.159
 Vibration    13          0.744              1.530              1.071
 Vibration    14          0.773              1.451              0.931
 Vibration    15          0.813              1.351              0.783
 Vibration    16          0.883              1.188              0.592
 Vibration    17          0.932              1.085              0.494
 Vibration    18          0.943              1.062              0.474
 Vibration    19          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.791857D-91        -91.101353       -209.768618
 Total V=0       0.858544D+18         17.933763         41.294014
 Vib (Bot)       0.897336-105       -105.047045       -241.879760
 Vib (Bot)    1  0.607621D+01          0.783633          1.804381
 Vib (Bot)    2  0.320185D+01          0.505400          1.163727
 Vib (Bot)    3  0.253961D+01          0.404767          0.932010
 Vib (Bot)    4  0.164286D+01          0.215601          0.496439
 Vib (Bot)    5  0.137842D+01          0.139382          0.320939
 Vib (Bot)    6  0.125472D+01          0.098548          0.226914
 Vib (Bot)    7  0.893695D+00         -0.048811         -0.112391
 Vib (Bot)    8  0.797824D+00         -0.098093         -0.225867
 Vib (Bot)    9  0.710284D+00         -0.148568         -0.342091
 Vib (Bot)   10  0.658454D+00         -0.181474         -0.417860
 Vib (Bot)   11  0.597648D+00         -0.223555         -0.514754
 Vib (Bot)   12  0.524235D+00         -0.280474         -0.645816
 Vib (Bot)   13  0.488615D+00         -0.311033         -0.716179
 Vib (Bot)   14  0.433378D+00         -0.363133         -0.836145
 Vib (Bot)   15  0.376187D+00         -0.424597         -0.977670
 Vib (Bot)   16  0.303468D+00         -0.517888         -1.192480
 Vib (Bot)   17  0.266065D+00         -0.575013         -1.324016
 Vib (Bot)   18  0.258483D+00         -0.587569         -1.352927
 Vib (Bot)   19  0.236735D+00         -0.625738         -1.440815
 Vib (V=0)       0.972906D+04          3.988071          9.182873
 Vib (V=0)    1  0.659674D+01          0.819330          1.886576
 Vib (V=0)    2  0.374065D+01          0.572947          1.319259
 Vib (V=0)    3  0.308836D+01          0.489728          1.127641
 Vib (V=0)    4  0.221726D+01          0.345817          0.796274
 Vib (V=0)    5  0.196630D+01          0.293651          0.676156
 Vib (V=0)    6  0.185068D+01          0.267331          0.615551
 Vib (V=0)    7  0.152406D+01          0.183001          0.421375
 Vib (V=0)    8  0.144155D+01          0.158831          0.365722
 Vib (V=0)    9  0.136862D+01          0.136283          0.313804
 Vib (V=0)   10  0.132678D+01          0.122798          0.282753
 Vib (V=0)   11  0.127922D+01          0.106945          0.246250
 Vib (V=0)   12  0.122445D+01          0.087940          0.202489
 Vib (V=0)   13  0.119910D+01          0.078857          0.181574
 Vib (V=0)   14  0.116168D+01          0.065085          0.149865
 Vib (V=0)   15  0.112571D+01          0.051428          0.118416
 Vib (V=0)   16  0.108489D+01          0.035384          0.081476
 Vib (V=0)   17  0.106638D+01          0.027913          0.064273
 Vib (V=0)   18  0.106286D+01          0.026477          0.060965
 Vib (V=0)   19  0.105321D+01          0.022516          0.051844
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119662D+07          6.077958         13.995015
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000623    0.000001577   -0.000010218
      2        6           0.000000364    0.000005236    0.000014082
      3        6           0.000011646   -0.000017672    0.000000215
      4        6          -0.000006996   -0.000000011   -0.000002841
      5        6           0.000003620    0.000003802    0.000004609
      6        6          -0.000002788   -0.000003071   -0.000004579
      7        8           0.000002972   -0.000002417   -0.000000334
      8        6           0.000000540    0.000000126   -0.000002976
      9        6          -0.000007236   -0.000006732   -0.000008124
     10        6           0.000001202    0.000010782   -0.000001716
     11        6          -0.000003315    0.000010474    0.000007335
     12        1           0.000000874   -0.000000976    0.000001433
     13        1           0.000003202   -0.000001899    0.000001436
     14        1          -0.000002896    0.000002071   -0.000000052
     15        1          -0.000002023    0.000000394    0.000002436
     16        1           0.000001629   -0.000002115    0.000001187
     17        1          -0.000000234    0.000001008   -0.000000339
     18        1          -0.000000196    0.000001281    0.000000155
     19        1           0.000000246    0.000001635    0.000001388
     20        1           0.000000053   -0.000002817    0.000000734
     21        1          -0.000001050   -0.000001172   -0.000001506
     22        1          -0.000000511   -0.000000857   -0.000001081
     23        1          -0.000001053    0.000002077    0.000000629
     24        1          -0.000000859   -0.000000530    0.000000786
     25        1           0.000003208    0.000000888   -0.000002714
     26        1           0.000000098   -0.000002125   -0.000001185
     27        1           0.000000124    0.000001043    0.000001239
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017672 RMS     0.000004327
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.172243D+03  0.819513D+01 -0.405121D+01
      2   0.819513D+01  0.112618D+03 -0.470849D+01
      3  -0.405121D+01 -0.470849D+01  0.113836D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.681198D+01  0.107764D+02  0.300822D+01
      2   0.173200D+02 -0.167229D+02 -0.214841D+02
      3  -0.309008D+02  0.396431D+02  0.232519D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.774717D+02  0.487463D+02 -0.194609D+02
      2  -0.545063D+02 -0.348630D+02 -0.158131D+02
      3  -0.229654D+02 -0.138833D+02  0.352740D+02
      4   0.411815D+02 -0.876941D+02 -0.545635D+02
      5  -0.987749D+01 -0.571453D+02 -0.413289D+02
      6  -0.296743D+02  0.225931D+01  0.287528D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.301842D+01 -0.319320D+01 -0.486117D+01 -0.376440D+01 -0.233345D+01
      2  -0.319320D+01 -0.226441D+01  0.192833D+00 -0.233345D+01  0.336722D+01
      3  -0.486117D+01  0.192833D+00  0.195568D+01  0.455691D+00 -0.308385D+01
                 6             7             8             9            10 
      1   0.455691D+00 -0.421395D+01  0.565173D+00  0.216632D+01 -0.201849D+02
      2  -0.308385D+01  0.565173D+00 -0.250805D+01 -0.128287D+01  0.460493D+01
      3  -0.921434D+00  0.216632D+01 -0.128287D+01  0.221196D+01  0.534835D+01
                11            12            13            14            15 
      1   0.460493D+01  0.534835D+01  0.701947D+01  0.260134D+00 -0.892514D+00
      2   0.182313D+01 -0.442029D-02  0.260134D+00 -0.621087D+00  0.241215D+01
      3  -0.442029D-02 -0.231145D+01 -0.892514D+00  0.241215D+01  0.179999D+01
                16            17            18            19            20 
      1   0.149320D+02 -0.767274D+00 -0.404633D+01  0.435665D+02  0.182784D+01
      2  -0.767274D+00  0.292869D+01  0.242467D+01  0.182784D+01  0.351457D+01
      3  -0.404633D+01  0.242467D+01 -0.311630D+01 -0.310007D+01  0.140526D+01
                21            22            23            24            25 
      1  -0.310007D+01 -0.280478D+01  0.676453D+01  0.365922D+01 -0.518309D+01
      2   0.140526D+01  0.676453D+01  0.148983D+01  0.640044D+00  0.289968D+01
      3   0.142907D+01  0.365922D+01  0.640044D+00 -0.386887D+01  0.266179D+01
                26            27            28            29            30 
      1   0.289968D+01  0.266179D+01 -0.609679D+02 -0.638117D+01  0.410598D+01
      2   0.402687D+00 -0.329172D+01 -0.638117D+01 -0.344441D+01 -0.456602D+00
      3  -0.329172D+01  0.285841D+01  0.410598D+01 -0.456602D+00 -0.224091D+01
                31            32            33            34            35 
      1  -0.134324D+02 -0.655019D+01 -0.723478D+00  0.799558D+01  0.129146D+00
      2  -0.655019D+01 -0.373315D+01 -0.118328D+01  0.129146D+00 -0.580704D+00
      3  -0.723478D+00 -0.118328D+01  0.198774D+01 -0.443979D+01  0.194476D+01
                36            37            38            39            40 
      1  -0.443979D+01  0.589433D+02  0.881851D+01 -0.525684D+01  0.143620D+02
      2   0.194476D+01  0.881851D+01  0.274569D+01  0.294207D+00  0.539337D+01
      3  -0.142927D+01 -0.525684D+01  0.294207D+00  0.938035D+00  0.958548D-01
                41            42            43            44            45 
      1   0.539337D+01  0.958548D-01 -0.705175D+01  0.237942D+00  0.346432D+01
      2   0.296155D+01  0.946435D+00  0.237942D+00  0.462059D+00 -0.284872D+01
      3   0.946435D+00 -0.305903D+01  0.346432D+01 -0.284872D+01  0.144384D+01
                46            47            48            49            50 
      1  -0.415044D+02 -0.867559D+01  0.500577D+01 -0.104316D+02 -0.277344D+01
      2  -0.867559D+01 -0.135686D+01  0.174402D+01 -0.277344D+01 -0.928586D+00
      3   0.500577D+01  0.174402D+01 -0.569694D+00  0.225385D+01 -0.211013D+00
                51            52            53            54            55 
      1   0.225385D+01  0.336626D+01  0.199950D+01 -0.162375D+01  0.337805D+02
      2  -0.211013D+00  0.199950D+01  0.402032D-02  0.119133D+01  0.682343D+01
      3   0.134844D+01 -0.162375D+01  0.119133D+01 -0.160524D+01 -0.488625D+01
                56            57            58            59            60 
      1   0.682343D+01 -0.488625D+01  0.159918D+02  0.718103D+01 -0.140838D+01
      2   0.255998D+01 -0.138964D+01  0.718103D+01  0.488408D+01 -0.194861D+01
      3  -0.138964D+01  0.241388D+01 -0.140838D+01 -0.194861D+01  0.722577D+00
                61            62            63            64            65 
      1  -0.172155D+02 -0.308483D+01  0.536474D+01  0.654923D+01 -0.454731D+01
      2  -0.308483D+01 -0.126164D+01  0.166946D+01 -0.454731D+01 -0.189223D+01
      3   0.536474D+01  0.166946D+01 -0.383360D+01 -0.301532D+01  0.466809D+00
                66            67            68            69            70 
      1  -0.301532D+01 -0.448413D+01 -0.160812D+01  0.647243D+00 -0.571250D+01
      2   0.466809D+00 -0.160812D+01  0.380944D+00 -0.212943D+01  0.768073D+00
      3   0.203620D+01  0.647243D+00 -0.212943D+01 -0.108788D+01  0.276507D+01
                71            72            73            74            75 
      1   0.768073D+00  0.276507D+01  0.961454D+00  0.950775D+00 -0.453023D+00
      2  -0.216894D+01 -0.212560D+01  0.950775D+00 -0.267506D+01 -0.290030D+01
      3  -0.212560D+01  0.563202D+01 -0.453023D+00 -0.290030D+01  0.223558D+01
                76            77            78            79            80 
      1   0.174933D+01 -0.282171D+01 -0.414273D+01 -0.111612D+01 -0.393375D+01
      2  -0.282171D+01 -0.216437D+01 -0.123798D+01 -0.393375D+01 -0.164949D+01
      3  -0.414273D+01 -0.123798D+01 -0.108760D+01  0.343257D+01 -0.714662D+00
                81            82            83            84            85 
      1   0.343257D+01 -0.748002D+01 -0.607991D+01 -0.184495D+01 -0.792693D+01
      2  -0.714662D+00 -0.607991D+01 -0.244575D+01  0.100177D+01 -0.431815D+01
      3   0.136061D+01 -0.184495D+01  0.100177D+01 -0.237424D-01  0.381392D+00
                86            87            88            89            90 
      1  -0.431815D+01  0.381392D+00  0.382478D+01  0.188578D+01 -0.181527D+00
      2   0.931229D+00  0.158037D-01  0.188578D+01  0.859921D+00  0.471204D+01
      3   0.158037D-01  0.345898D+01 -0.181527D+00  0.471204D+01  0.199263D+01
                91            92            93            94            95 
      1  -0.882253D+01 -0.675694D+00 -0.277969D+01 -0.236992D+01  0.138979D+01
      2  -0.675694D+00  0.222826D+01 -0.250075D+00  0.138979D+01  0.422439D+01
      3  -0.277969D+01 -0.250075D+00  0.284398D+01 -0.731890D+00 -0.514718D-01
                96            97            98            99           100 
      1  -0.731890D+00 -0.523144D+00 -0.533547D+00  0.282718D+01 -0.506151D+01
      2  -0.514718D-01 -0.533547D+00  0.490358D+00 -0.204194D+01  0.198879D+00
      3  -0.229582D+01  0.282718D+01 -0.204194D+01 -0.421996D+00 -0.249964D+01
               101           102           103           104           105 
      1   0.198879D+00 -0.249964D+01  0.153258D+01 -0.795929D+00  0.126893D+01
      2  -0.705948D+00  0.418760D+00 -0.795929D+00  0.943660D+00 -0.615833D+00
      3   0.418760D+00 -0.231419D+01  0.126893D+01 -0.615833D+00  0.121873D+01
               106           107           108           109           110 
      1  -0.423622D+01  0.778414D+00 -0.359641D+01 -0.690177D+01 -0.228081D+01
      2   0.778414D+00 -0.133394D+01  0.278489D+00 -0.228081D+01 -0.146546D+01
      3  -0.359641D+01  0.278489D+00 -0.443074D+01  0.203305D+01  0.935134D+00
               111           112           113           114           115 
      1   0.203305D+01 -0.255199D+01 -0.187703D+01  0.121919D+01  0.474352D+01
      2   0.935134D+00 -0.187703D+01 -0.186723D+01  0.907378D+00  0.191541D+01
      3  -0.186084D+01  0.121919D+01  0.907378D+00 -0.833177D+00 -0.301316D+01
               116           117           118           119           120 
      1   0.191541D+01 -0.301316D+01  0.451577D+00  0.592184D+00 -0.680601D+00
      2   0.181673D+01 -0.964964D+00  0.592184D+00 -0.244727D+00 -0.247623D+00
      3  -0.964964D+00  0.246073D+01 -0.680601D+00 -0.247623D+00  0.154011D-01
               121           122           123           124           125 
      1   0.199795D+01 -0.591665D+00 -0.537488D-01 -0.109361D+01  0.287397D-01
      2  -0.591665D+00  0.136052D+01 -0.132552D+01  0.287397D-01 -0.183020D+01
      3  -0.537488D-01 -0.132552D+01  0.216289D+01 -0.544769D+00  0.152049D+01
               126           127           128           129           130 
      1  -0.544769D+00  0.999003D+00 -0.336745D+00  0.650591D+00 -0.394974D+00
      2   0.152049D+01 -0.336745D+00  0.163097D+01 -0.488376D+00  0.642866D+00
      3  -0.587137D+01  0.650591D+00 -0.488376D+00  0.544271D+00 -0.335234D+00
               131           132           133           134           135 
      1   0.642866D+00 -0.335234D+00  0.144590D+01 -0.345050D+00  0.192384D+00
      2  -0.537861D+01  0.155051D+01 -0.345050D+00  0.338823D+01 -0.216215D+01
      3   0.155051D+01 -0.177082D+01  0.192384D+00 -0.216215D+01  0.208625D+01
               136           137           138           139           140 
      1   0.985731D+00 -0.289120D+00 -0.750870D+00  0.118322D+01 -0.359904D+00
      2  -0.289120D+00  0.212490D+00 -0.137354D+00 -0.359904D+00 -0.435904D+01
      3  -0.750870D+00 -0.137354D+00 -0.424070D-01 -0.557468D+00 -0.277452D+01
               141           142           143           144           145 
      1  -0.557468D+00 -0.218453D+01 -0.121522D+01 -0.951635D+00  0.611468D+00
      2  -0.277452D+01 -0.121522D+01 -0.459396D+01 -0.461309D+01 -0.559571D+00
      3  -0.274424D+01 -0.951635D+00 -0.461309D+01 -0.605164D+01  0.831630D+00
               146           147           148           149           150 
      1  -0.559571D+00  0.831630D+00 -0.102322D+01  0.870771D+00 -0.117663D+00
      2   0.912366D+00 -0.313855D+00  0.870771D+00 -0.532084D+01  0.226908D+01
      3  -0.313855D+00  0.397359D+00 -0.117663D+00  0.226908D+01 -0.301628D+01
               151           152           153           154           155 
      1   0.703057D+00 -0.232708D+00  0.726861D-01 -0.615715D+01  0.151271D+01
      2  -0.232708D+00  0.168362D+01 -0.140903D+01  0.151271D+01 -0.121285D+01
      3   0.726861D-01 -0.140903D+01  0.153031D+01  0.405464D+01 -0.910023D+00
               156           157           158           159           160 
      1   0.405464D+01  0.149684D+01 -0.953696D+00 -0.943247D+00  0.237422D+01
      2  -0.910023D+00 -0.953696D+00  0.736001D+00  0.133321D+01 -0.707119D+00
      3  -0.427789D+01 -0.943247D+00  0.133321D+01  0.150325D+01 -0.278624D+01
               161           162           163           164           165 
      1  -0.707119D+00 -0.278624D+01  0.366481D+01  0.164227D+01  0.162343D+01
      2   0.919488D+00  0.947765D+00  0.164227D+01  0.199177D+01  0.107887D+01
      3   0.947765D+00  0.366553D+01  0.162343D+01  0.107887D+01  0.240216D+01
               166           167           168           169           170 
      1   0.187285D+01  0.137756D+01  0.760115D+00  0.847114D+00  0.496809D+00
      2   0.137756D+01  0.214902D+01  0.168743D+01  0.496809D+00  0.101811D+01
      3   0.760115D+00  0.168743D+01  0.220277D+01  0.935830D+00  0.105476D+01
               171           172           173           174           175 
      1   0.935830D+00 -0.141349D+01  0.921147D+00 -0.832010D+00  0.489529D+00
      2   0.105476D+01  0.921147D+00 -0.220879D+00  0.273501D+00 -0.965677D-01
      3   0.183666D+01 -0.832010D+00  0.273501D+00 -0.118244D+01  0.204227D+00
               176           177           178           179           180 
      1  -0.965677D-01  0.204227D+00 -0.160695D+01  0.882078D+00 -0.200954D+01
      2   0.536658D+00 -0.896803D+00  0.882078D+00 -0.236941D+01  0.204670D+01
      3  -0.896803D+00  0.673731D+00 -0.200954D+01  0.204670D+01 -0.711955D+01
               181           182           183           184           185 
      1   0.242389D+01  0.192659D+01  0.733253D+00  0.168994D+01  0.159335D+01
      2   0.192659D+01  0.419196D+01  0.414941D+00  0.159335D+01  0.499634D+01
      3   0.733253D+00  0.414941D+00  0.920353D+00  0.269461D+00  0.760751D+00
               186           187           188           189           190 
      1   0.269461D+00  0.994464D+00  0.146295D+00  0.207258D+00 -0.725004D+01
      2   0.760751D+00  0.146295D+00  0.153869D+01  0.112008D+01  0.389844D+01
      3   0.967183D+00  0.207258D+00  0.112008D+01  0.226767D+00  0.206707D+01
               191           192           193           194           195 
      1   0.389844D+01  0.206707D+01  0.129110D+01 -0.201242D+01 -0.722240D+00
      2  -0.291845D+01 -0.902891D+00 -0.201242D+01  0.227164D+01  0.933910D+00
      3  -0.902891D+00 -0.188140D+01 -0.722240D+00  0.933910D+00  0.687400D+00
               196           197           198           199           200 
      1   0.360880D+01 -0.175922D+01 -0.203081D+01 -0.145024D+01 -0.905655D+00
      2  -0.175922D+01  0.219324D+01  0.129347D+01 -0.905655D+00 -0.253322D-01
      3  -0.203081D+01  0.129347D+01  0.132913D+01  0.113077D+01 -0.194933D+00
               201           202           203           204           205 
      1   0.113077D+01 -0.187162D+01  0.821191D+00  0.323537D+00  0.180523D+01
      2  -0.194933D+00  0.821191D+00 -0.136612D+01  0.140935D+01  0.362584D+00
      3   0.303927D+00  0.323537D+00  0.140935D+01 -0.187729D+01  0.506864D+00
               206           207           208           209           210 
      1   0.362584D+00  0.506864D+00  0.931246D+00  0.658588D+00 -0.802869D+00
      2   0.171371D+01 -0.171842D+01  0.658588D+00  0.546671D-01  0.441704D-02
      3  -0.171842D+01  0.374540D+01 -0.802869D+00  0.441704D-02 -0.845329D-01
               211           212           213           214           215 
      1   0.127016D+01 -0.310671D-01 -0.416505D+00 -0.164530D+01 -0.310388D+00
      2  -0.310671D-01  0.196165D+01 -0.186692D+01 -0.310388D+00 -0.216089D+01
      3  -0.416505D+00 -0.186692D+01  0.280360D+01  0.136569D+00  0.245691D+01
               216           217           218           219           220 
      1   0.136569D+00  0.945603D+00 -0.576669D+00  0.864864D-01 -0.226520D+01
      2   0.245691D+01 -0.576669D+00 -0.119148D+01  0.283658D+00  0.363033D+00
      3  -0.577412D+01  0.864864D-01  0.283658D+00 -0.941311D+00 -0.663900D+00
               221           222           223           224           225 
      1   0.363033D+00 -0.663900D+00  0.545530D+00  0.196155D+00 -0.164109D+00
      2  -0.751782D+01  0.952774D+00  0.196155D+00 -0.387119D+00 -0.575657D+00
      3   0.952774D+00 -0.161373D+01 -0.164109D+00 -0.575657D+00  0.354352D+00
               226           227           228           229           230 
      1  -0.463114D+00  0.728367D+00  0.102146D+01  0.889238D+00 -0.424887D+00
      2   0.728367D+00 -0.103785D+01 -0.128484D+00 -0.424887D+00  0.416594D+00
      3   0.102146D+01 -0.128484D+00 -0.282046D+01 -0.100466D+00  0.114669D+01
               231           232           233           234           235 
      1  -0.100466D+00  0.274965D+01 -0.405356D+00 -0.660346D+00  0.982435D+01
      2   0.114669D+01 -0.405356D+00  0.124303D+01  0.935604D+00 -0.603212D+00
      3   0.215528D+01 -0.660346D+00  0.935604D+00  0.570598D+01  0.307082D+01
               236           237           238           239           240 
      1  -0.603212D+00  0.307082D+01  0.485298D+00  0.890604D+00  0.270754D+00
      2   0.123584D+01 -0.189596D+00  0.890604D+00 -0.354486D+00  0.359730D+00
      3  -0.189596D+00  0.211539D+01  0.270754D+00  0.359730D+00  0.483604D+00
               241           242           243 
      1   0.184658D+01  0.269045D-02  0.131482D+01
      2   0.269045D-02  0.181762D+00  0.152291D+00
      3   0.131482D+01  0.152291D+00  0.121323D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.576427D+01 -0.550671D+01  0.178912D+00 -0.513061D+01  0.986291D+01
      2   0.781947D+01  0.721712D+01  0.100649D+02  0.656511D+01  0.119643D+02
      3  -0.641801D+01 -0.759496D+01 -0.131524D+01 -0.364164D+01  0.504156D+01
                 6             7             8             9            10 
      1  -0.106419D+02 -0.672892D+00 -0.415538D+01 -0.233881D+01  0.908515D+00
      2   0.778723D+00  0.237463D+01  0.210582D+01 -0.779389D+01 -0.195003D+02
      3  -0.533665D+01 -0.461029D+00 -0.473808D+01 -0.180613D+01  0.124983D+02
                11            12            13            14            15 
      1   0.220876D+01  0.136045D+01  0.217952D+01 -0.437874D+01 -0.456506D+01
      2  -0.134236D+01  0.826885D+01 -0.140412D+01 -0.873142D+01 -0.486138D+01
      3   0.349598D+01  0.387981D+01  0.135077D+02  0.316058D+01  0.602296D+01
                16            17            18            19            20 
      1   0.471717D+00  0.517302D+01  0.352487D+01 -0.235408D+01 -0.653708D+00
      2   0.868232D+01 -0.529815D+01  0.711370D+01  0.254813D+02  0.238772D+01
      3  -0.576968D+00  0.599612D+01  0.397698D+01 -0.169985D+02 -0.589375D+01
                21            22            23            24            25 
      1  -0.847329D+00  0.406104D+00 -0.102039D+01 -0.422868D+01 -0.342548D+00
      2   0.981457D+00  0.147894D+01  0.534075D+01  0.610919D+01 -0.143180D+02
      3  -0.511727D-01  0.393687D+01 -0.470790D+01 -0.758486D+00 -0.146084D+01
                26            27            28            29            30 
      1   0.253334D+00  0.401653D+01  0.702798D+01 -0.835053D+00 -0.687776D+00
      2   0.444331D+01 -0.958256D-01 -0.294907D+02 -0.522060D+01 -0.185855D+01
      3  -0.236282D+01 -0.298962D+01  0.148150D+02  0.604681D+01  0.538645D+00
                31            32            33            34            35 
      1  -0.541192D+01  0.690455D+00 -0.206974D+01 -0.323486D+01  0.264816D+01
      2  -0.151092D+02 -0.418294D+01 -0.366327D+00 -0.222236D+02 -0.306116D+01
      3   0.330414D+02  0.829366D+01 -0.144533D+01  0.391624D+01  0.127586D+01
                36            37            38            39            40 
      1  -0.391345D+01 -0.732924D+01  0.196924D+01  0.145598D+01  0.575537D+01
      2   0.162565D+00  0.229243D+02  0.595603D+01  0.442178D+01  0.138894D+02
      3   0.690223D+00 -0.215861D+02 -0.108614D+02 -0.301590D+00 -0.655943D+00
                41            42            43            44            45 
      1   0.311643D+00 -0.884321D+00  0.869579D+01  0.176221D+01  0.461523D+00
      2   0.577441D+01 -0.566335D+01 -0.105228D+02 -0.659167D+01  0.937533D+01
      3  -0.210135D+01 -0.380352D+01 -0.255069D+01 -0.539741D+01  0.401364D+01
                46            47            48            49            50 
      1   0.621911D+01 -0.894868D+01 -0.188361D+01 -0.401452D+01  0.844211D+01
      2  -0.690309D+01 -0.571960D+01 -0.866896D+01 -0.486993D+01 -0.173794D-01
      3   0.147653D+02  0.154138D+02 -0.178099D+00  0.226703D+02  0.557264D+01
                51            52            53            54            55 
      1  -0.110390D+02 -0.546215D+00  0.944848D-01 -0.114479D+02 -0.339790D+01
      2  -0.213308D+01 -0.169394D+02  0.984027D+00 -0.614440D+01  0.600675D+01
      3   0.277263D+01  0.143209D+01  0.116836D+00 -0.912889D+00 -0.115332D+02
                56            57            58            59            60 
      1   0.227203D+01 -0.625740D+00 -0.290671D+01 -0.321300D+01 -0.571571D+00
      2   0.533518D+00  0.169770D+02  0.584717D+01 -0.231662D+01  0.753708D+01
      3  -0.184486D+02  0.285601D+01 -0.137057D+02 -0.165136D+02  0.416977D+01
                61            62            63            64            65 
      1   0.437120D+00  0.274536D+01  0.347873D+01  0.706276D+01 -0.114948D+01
      2   0.242399D+01  0.275410D+01 -0.118840D+02  0.950741D+01 -0.212178D+01
      3   0.423717D+01  0.801036D+01 -0.424618D+01 -0.777347D+01 -0.196390D+02
                66            67            68            69            70 
      1  -0.527902D+01 -0.517809D+00  0.544552D+01  0.220474D+01 -0.792242D+01
      2  -0.361162D+01 -0.224043D+01  0.510500D+01  0.314388D+01 -0.108368D+02
      3  -0.538852D+01 -0.990449D+01 -0.484558D+01 -0.492462D+01 -0.302452D+01
                71            72            73            74            75 
      1   0.845896D+01 -0.131253D+02 -0.316540D+00 -0.248538D+01  0.315925D+01
      2   0.573824D+01 -0.138684D+02  0.213394D+01  0.126318D+02 -0.622435D+01
      3  -0.402170D+01 -0.146324D+00  0.569198D+01 -0.153792D+02 -0.127112D+02
                76            77            78            79            80 
      1  -0.284111D+01 -0.463557D+00 -0.263045D+01  0.509352D+01  0.159059D+01
      2   0.161567D+02  0.373532D+01  0.143675D+01 -0.179182D+02 -0.974760D+00
      3  -0.786311D+01 -0.379853D+01 -0.163998D+01 -0.149091D+02 -0.989798D+00
                81            82            83            84            85 
      1   0.151809D+01 -0.191058D+00  0.483945D+01 -0.135904D+01  0.470169D+01
      2  -0.329614D+01 -0.247737D+01 -0.783707D+01  0.357907D+00 -0.111201D+02
      3  -0.524924D+01 -0.713740D+01  0.449557D+01  0.480839D+01  0.136184D+02
                86            87            88            89            90 
      1  -0.670824D+00  0.680033D+01 -0.111339D+01  0.154811D+02  0.121709D+01
      2  -0.410880D+01 -0.480821D+01 -0.251145D+01 -0.574133D+01 -0.277790D+01
      3   0.789255D+01 -0.258117D+01  0.650554D+01 -0.261204D+01  0.851676D+01
                91            92            93            94            95 
      1  -0.219582D+01  0.538742D+01  0.410127D+01 -0.235718D+01  0.774288D+01
      2  -0.307776D+01 -0.177309D+00  0.181392D+02 -0.112127D+01 -0.401435D+01
      3   0.628691D+01 -0.103922D+02  0.305167D+01 -0.481696D+00 -0.163131D+02
                96            97            98            99           100 
      1  -0.764933D+01 -0.978798D+00  0.433448D+01 -0.446147D+01 -0.202629D+01
      2  -0.987936D+01  0.814659D+01 -0.691124D+01 -0.570909D+01  0.503788D+01
      3   0.823929D+00  0.205650D+01 -0.354656D+01  0.457207D+01  0.469274D+01
               101           102           103           104           105 
      1   0.157000D+01 -0.190460D+01  0.975942D+00 -0.173934D+01  0.274836D+00
      2  -0.183199D+01  0.850952D+01 -0.355289D+01  0.167807D+01 -0.385496D+01
      3  -0.398561D+01  0.383024D+01 -0.180979D+01  0.487676D+01 -0.283006D+01
               106           107           108           109           110 
      1  -0.326729D+01  0.324278D+01 -0.340666D+01  0.257897D+01  0.400739D+00
      2   0.763515D+01 -0.869418D+00  0.139598D+02 -0.869445D+01 -0.397947D+01
      3   0.637362D+01 -0.638312D+01  0.409099D+01 -0.507183D+00 -0.527502D+01
               111           112           113           114           115 
      1  -0.269842D+01  0.198627D+01  0.810191D+00 -0.223597D+01 -0.287428D+01
      2   0.950796D+01 -0.532821D+01 -0.381472D+01  0.410989D+01  0.961504D+01
      3   0.127560D+01 -0.143157D+01 -0.500851D+01  0.184258D+01  0.223932D+01
               116           117           118           119           120 
      1   0.494535D+00  0.332169D+01 -0.608111D+00  0.161637D+00  0.118023D+00
      2   0.338826D+01 -0.110285D+02  0.259703D+01  0.549046D+00  0.726037D+00
      3   0.601405D+01 -0.356983D+00  0.833860D+00 -0.950922D+00  0.373298D+00
               121           122           123           124           125 
      1  -0.133048D+01 -0.270955D+01  0.544469D+00 -0.891966D+00  0.450687D+01
      2   0.193461D+01  0.514365D+00 -0.248478D+01 -0.410977D+01 -0.152355D+01
      3   0.176441D+01  0.864936D+00 -0.113691D+01  0.105961D+00 -0.165753D+01
               126           127           128           129           130 
      1  -0.245822D+01  0.228615D+01 -0.202110D+01  0.240805D+01 -0.167859D+01
      2   0.528395D+01 -0.687459D+00  0.766781D+00  0.548850D+00  0.100631D+01
      3   0.189153D+01 -0.340762D+01  0.209151D+01 -0.262830D+01  0.431829D+01
               131           132           133           134           135 
      1   0.703322D+01 -0.737431D+01  0.957320D+00 -0.589051D+01  0.850087D+01
      2  -0.185444D+01  0.228826D+01 -0.747424D+00  0.316658D+01 -0.291697D+01
      3  -0.107446D+02  0.371367D+01 -0.509183D+01  0.674387D+01 -0.488704D+01
               136           137           138           139           140 
      1  -0.105011D+01 -0.653148D+00  0.962146D-01 -0.597618D+00 -0.613157D+00
      2   0.168275D+01  0.163258D+00  0.341008D+00  0.106787D+00  0.448586D+01
      3  -0.894372D+00 -0.199809D+00  0.894412D+00  0.158094D+01 -0.755478D+01
               141           142           143           144           145 
      1  -0.521929D+01 -0.148056D+00 -0.285118D+01 -0.965940D+01 -0.143920D+01
      2   0.454232D+01 -0.293812D+01  0.688286D+01  0.971065D+01 -0.419989D+01
      3  -0.414148D+01  0.265627D+01 -0.663314D+01 -0.730158D+01 -0.156717D+01
               146           147           148           149           150 
      1   0.289628D+01 -0.271772D+00  0.267652D+01 -0.144436D+02  0.180610D+01
      2   0.206975D+01 -0.138692D+01  0.435920D+01 -0.707120D+01  0.577665D+01
      3   0.940384D+00 -0.330653D+00  0.405911D+01 -0.862005D+01  0.365276D+01
               151           152           153           154           155 
      1  -0.434768D+00  0.474197D+01 -0.289002D+01  0.192832D+01 -0.351692D+01
      2  -0.271100D+01  0.331712D+01 -0.284203D+01  0.483105D+01 -0.128926D+01
      3  -0.757059D+00  0.259541D+01 -0.237307D+01  0.119729D+01 -0.401737D+01
               156           157           158           159           160 
      1   0.157574D+00 -0.136683D+01  0.117624D+01  0.758210D+00 -0.958224D+00
      2   0.365761D+01 -0.215157D+01 -0.124886D+01 -0.174973D+01 -0.330434D+01
      3  -0.660804D+00 -0.509902D+00  0.159610D+01  0.228487D+01 -0.701373D-01
               161           162           163           164           165 
      1   0.335992D+01  0.355724D+00  0.291284D+01  0.497863D+01  0.191971D+00
      2  -0.274715D+00 -0.201836D+01 -0.143753D+02 -0.626263D+01 -0.651389D+01
      3   0.244458D+01  0.983638D+00  0.645404D+01  0.274411D+01  0.273416D+01
               166           167           168           169           170 
      1   0.274294D+01  0.403715D+01  0.454319D+00  0.731923D+00  0.312523D+01
      2  -0.724292D+01 -0.685166D+01 -0.496702D+01 -0.584377D+01 -0.339319D+01
      3   0.539479D+01  0.354463D+01  0.350454D+01  0.149949D+01  0.137152D+01
               171           172           173           174           175 
      1   0.134758D+01  0.149596D+01 -0.242030D+00  0.282852D+01 -0.822245D+00
      2  -0.525740D+01  0.145586D+01 -0.561995D+00  0.354071D+01 -0.319895D+00
      3   0.261398D+01  0.559858D+00  0.120924D+00 -0.759626D+00  0.138418D+01
               176           177           178           179           180 
      1   0.196381D+01 -0.247910D+01  0.381636D+01  0.348977D-02  0.163267D+02
      2   0.215275D+01 -0.160303D+01  0.143765D+01 -0.443692D+01  0.174555D+02
      3   0.102142D+01 -0.168266D+01 -0.177385D+01 -0.524698D+01  0.213888D+01
               181           182           183           184           185 
      1  -0.191283D+01 -0.864447D+00 -0.353133D+01 -0.104734D+01 -0.220937D+01
      2  -0.139096D+01 -0.669244D+00 -0.469987D+00 -0.232869D+00 -0.138920D+01
      3   0.143993D+02  0.138317D+02  0.305122D+01  0.105204D+02  0.167194D+02
               186           187           188           189           190 
      1  -0.423235D+01 -0.758286D+00 -0.101229D+01 -0.690289D+00 -0.492367D+01
      2  -0.126391D+01 -0.134342D+01 -0.234132D+01 -0.297328D+00 -0.560812D+01
      3   0.284962D+01  0.293871D+01  0.416024D+01  0.343098D+01 -0.421759D+01
               191           192           193           194           195 
      1   0.167647D+01  0.555289D+01  0.242460D+01 -0.223221D+01 -0.299690D+01
      2   0.273666D+01  0.770357D+01  0.175570D+01 -0.280494D+01 -0.277107D+01
      3  -0.298847D+01  0.204030D+01  0.230759D+01  0.269261D+01  0.768310D+00
               196           197           198           199           200 
      1   0.398507D+01 -0.110240D+01 -0.324753D+01  0.497067D-01  0.330689D+00
      2   0.452960D+01 -0.313573D+01 -0.442334D+01 -0.501881D+00 -0.501040D+00
      3   0.191693D+01  0.376529D+01 -0.374606D+00  0.954594D+00  0.505834D+00
               201           202           203           204           205 
      1   0.218895D+00  0.476488D+01  0.783439D+00 -0.307291D+01  0.259471D+01
      2  -0.181546D+00  0.159952D+01  0.129942D+01 -0.903972D+00 -0.271452D+01
      3  -0.767175D+00  0.325023D+01  0.293277D+00 -0.284160D+00 -0.238239D+01
               206           207           208           209           210 
      1   0.144544D+01  0.343506D+01 -0.103961D+01  0.469592D+00  0.855379D-03
      2   0.129986D+00  0.258077D+01 -0.871370D+00  0.687975D-01  0.542842D+00
      3  -0.896020D+00  0.530703D+00 -0.177641D+01 -0.615274D+00  0.414586D+00
               211           212           213           214           215 
      1   0.218289D+01 -0.196847D+01 -0.403348D+00  0.112460D+01  0.389248D+01
      2   0.625526D+00 -0.380797D+01  0.509758D+01 -0.382326D+01  0.440617D+01
      3   0.343624D+01 -0.355702D+01  0.396032D+01  0.410524D+00  0.442134D+01
               216           217           218           219           220 
      1   0.715860D+00  0.122498D+00 -0.236047D+01  0.237867D-01  0.349765D+00
      2  -0.101967D+02  0.936251D+00  0.215211D+01 -0.257176D+01  0.505163D+00
      3  -0.499106D+01  0.228911D+01  0.448984D+01 -0.112964D+01  0.208806D+01
               221           222           223           224           225 
      1  -0.119685D+02 -0.646323D+00  0.168271D+01 -0.878044D+00 -0.334577D+00
      2   0.419904D+01 -0.423770D+01 -0.478228D+00 -0.194344D+01  0.209845D+01
      3   0.264849D+02 -0.299872D+01 -0.151023D+01  0.180449D+01  0.209402D+01
               226           227           228           229           230 
      1   0.599847D+00 -0.192017D+01 -0.389193D+01  0.350923D+00  0.189257D+01
      2   0.669477D+01 -0.172961D+01 -0.122943D+02 -0.189770D+01  0.544362D+01
      3  -0.145770D+01  0.206810D+01 -0.333521D-01  0.111756D+01 -0.859324D+00
               231           232           233           234           235 
      1   0.348978D+01 -0.204014D+01  0.363947D+01  0.649390D+01  0.135609D+01
      2   0.882596D+01 -0.756924D+01  0.412472D+01  0.222551D+02 -0.135725D+01
      3  -0.403351D+01  0.157186D+00 -0.329699D+01 -0.246109D+01 -0.426226D+01
               236           237           238           239           240 
      1   0.199635D+01  0.112791D+01  0.552672D+00 -0.206393D+00 -0.308543D+00
      2  -0.343608D+00  0.640903D+01  0.760948D+00  0.521555D+00  0.190160D+01
      3  -0.631170D+01 -0.113945D+01 -0.187714D+01  0.668509D+00 -0.795194D+00
               241           242           243 
      1   0.692040D+00  0.120463D+01  0.905968D+00
      2  -0.107078D+00  0.956144D+00  0.258101D+01
      3  -0.187691D+01 -0.937783D+00 -0.144858D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.317274D+01  0.127213D+02  0.179444D+02  0.117118D+02  0.142322D+02
      2   0.776708D+01 -0.948899D+01 -0.165262D+02 -0.936819D+01  0.138259D+01
      3  -0.109398D+02 -0.323228D+01 -0.141816D+01 -0.234363D+01 -0.156148D+02
      4   0.128994D+02  0.354289D+01 -0.698140D+01  0.559084D+01 -0.149920D+02
      5   0.257897D+02 -0.126529D+02 -0.249023D+02 -0.138347D+02  0.450467D+01
      6  -0.143437D+02 -0.819813D+01  0.239561D+01 -0.702200D+01  0.995192D+01
                 6             7             8             9            10 
      1   0.827965D-01  0.128817D+02 -0.848703D-01 -0.155892D+02 -0.182209D+02
      2   0.291815D+01 -0.123929D+02  0.218546D+01 -0.169900D+01  0.161082D+02
      3  -0.300095D+01 -0.488759D+00 -0.210059D+01  0.172882D+02  0.211272D+01
      4   0.995985D+01 -0.716966D+01  0.847519D+01  0.674253D+01 -0.335155D+02
      5   0.424036D+01 -0.239278D+02  0.599210D+01 -0.731977D+00 -0.124874D+02
      6  -0.118160D+02  0.333301D+01 -0.106756D+02 -0.140426D+01  0.971116D+01
                11            12            13            14            15 
      1  -0.186689D+02 -0.836193D+01 -0.242180D+02 -0.223163D+02 -0.977103D+01
      2   0.143129D+02  0.561438D+01  0.172526D+02  0.212921D+01  0.541903D+01
      3   0.435601D+01  0.274755D+01  0.696535D+01  0.201871D+02  0.435199D+01
      4  -0.212707D+01  0.348193D+01 -0.519171D+01  0.241863D+01 -0.126719D+02
      5   0.986646D+00  0.124994D+02  0.222713D+01 -0.867433D+01 -0.562455D+01
      6  -0.207985D+01 -0.213617D+01  0.789105D+00  0.777475D+01  0.525789D+01
                16            17            18            19            20 
      1  -0.129919D+01 -0.850651D+01  0.997118D+01  0.635943D+02  0.110029D+02
      2  -0.455104D+01  0.787423D+01  0.785578D+00 -0.529059D+02 -0.108237D+02
      3   0.585023D+01  0.632275D+00 -0.107568D+02 -0.106884D+02 -0.179198D+00
      4   0.742935D+01 -0.155917D+02 -0.123045D+02  0.180520D+02 -0.113838D+02
      5   0.127515D+02 -0.908761D+01  0.142930D+02 -0.189320D+02 -0.705595D+01
      6  -0.654354D+01  0.522029D+01 -0.592561D+01 -0.226532D+02 -0.571389D+01
                21            22            23            24            25 
      1   0.888505D+00  0.100236D+02  0.993826D+01 -0.983222D+00  0.289815D+01
      2  -0.197373D+01 -0.120625D+02 -0.646272D+01 -0.644362D+01  0.128774D+01
      3   0.108522D+01  0.203888D+01 -0.347554D+01  0.742684D+01 -0.418588D+01
      4  -0.670097D+01 -0.235211D+02 -0.509281D+01  0.203825D+01 -0.119904D+02
      5  -0.801027D+00 -0.110224D+02 -0.452074D+01  0.688329D+01 -0.642041D+01
      6  -0.131794D+01 -0.902718D+01 -0.552521D+01 -0.199566D+01 -0.912860D+00
                26            27            28            29            30 
      1  -0.134035D+01  0.605496D+01 -0.131075D+03 -0.131893D+02  0.525589D+01
      2  -0.760139D+01  0.706135D+01  0.841805D+02  0.712246D+01 -0.467091D+01
      3   0.894174D+01 -0.131163D+02  0.468949D+02  0.606687D+01 -0.584982D+00
      4   0.429615D+01  0.837234D+01 -0.205740D+02 -0.105265D+02  0.512866D-01
      5   0.488411D+01 -0.445981D+01  0.352974D+02  0.210460D+01 -0.117357D+02
      6  -0.315089D+00  0.723611D+01  0.255804D+02  0.580295D+01  0.406439D+00
                31            32            33            34            35 
      1  -0.398290D+02 -0.266847D+02 -0.597484D+01  0.257043D+02 -0.350704D+01
      2   0.279835D+02  0.204544D+02  0.370274D+01 -0.132959D+02  0.601845D+01
      3   0.118455D+02  0.623035D+01  0.227210D+01 -0.124084D+02 -0.251141D+01
      4  -0.158210D+02 -0.117397D+02 -0.335597D+01  0.309889D+01 -0.339368D+01
      5   0.733506D+01  0.207945D+01 -0.584365D+00 -0.903300D+01  0.185279D+01
      6   0.708133D+01  0.103701D+02  0.482409D+01  0.129967D+00  0.175058D+01
                36            37            38            39            40 
      1  -0.130219D+02  0.184383D+03  0.323500D+02 -0.159247D+02  0.360062D+02
      2   0.172729D+01 -0.106816D+03 -0.185123D+02  0.103896D+02 -0.174152D+02
      3   0.112946D+02 -0.775672D+02 -0.138377D+02  0.553515D+01 -0.185910D+02
      4   0.972001D+00  0.399738D+02  0.189880D+02  0.835769D+00  0.302397D+02
      5   0.255559D-02 -0.499126D+02 -0.331643D+01  0.126440D+02 -0.194171D+01
      6   0.474132D+01 -0.250088D+02 -0.572742D+01  0.541221D-01 -0.101433D+02
                41            42            43            44            45 
      1   0.899123D+01 -0.107904D+02 -0.568939D+01 -0.964686D+01  0.108048D+02
      2   0.153887D+01 -0.122830D+01  0.977414D+01  0.413575D+01 -0.505836D+01
      3  -0.105301D+02  0.120187D+02 -0.408475D+01  0.551111D+01 -0.574647D+01
      4   0.674954D+01  0.116139D+01  0.885978D+01  0.624010D+01 -0.101074D+02
      5   0.151618D+01 -0.126708D+02  0.178569D+02 -0.892312D+01  0.675713D+01
      6   0.148327D-01  0.875222D+00  0.514421D+00  0.187668D+00  0.100796D+02
                46            47            48            49            50 
      1  -0.168908D+03 -0.354924D+02  0.300986D+02 -0.579129D+02 -0.199937D+02
      2   0.884692D+02  0.164059D+02 -0.151811D+02  0.294450D+02  0.110788D+02
      3   0.804391D+02  0.190865D+02 -0.149175D+02  0.284680D+02  0.891488D+01
      4  -0.617038D+02 -0.298604D+02  0.111204D+02 -0.175835D+02 -0.100343D+02
      5   0.621011D+02  0.151455D+02 -0.247136D+02  0.275675D+02  0.116159D+01
      6   0.214088D+02  0.281428D+01 -0.595988D+01 -0.515730D+00  0.662471D+01
                51            52            53            54            55 
      1   0.110388D+02  0.341546D+02  0.115949D+02 -0.134832D+02  0.179367D+03
      2  -0.103397D+02 -0.117475D+02  0.306864D+00  0.106314D+02 -0.914564D+02
      3  -0.699027D+00 -0.224070D+02 -0.119017D+02  0.285181D+01 -0.879110D+02
      4  -0.413495D+00  0.215261D+02 -0.339359D+01  0.510473D+01  0.546358D+02
      5   0.497527D+01 -0.154306D+02  0.636871D+01 -0.117604D+02 -0.595095D+02
      6   0.873770D+00  0.519388D+01 -0.291836D+01  0.551190D+01 -0.112915D+02
                56            57            58            59            60 
      1   0.354626D+02 -0.317216D+02  0.696332D+02  0.308089D+02 -0.455312D+01
      2  -0.135710D+02  0.204068D+02 -0.294168D+02 -0.457594D+01  0.891850D+00
      3  -0.218917D+02  0.113148D+02 -0.402164D+02 -0.262329D+02  0.366127D+01
      4   0.363169D+02 -0.115191D+02  0.600372D+02  0.417800D+02 -0.154649D+02
      5  -0.136447D+02  0.363578D+02 -0.201715D+02 -0.173067D+02  0.102953D+02
      6  -0.550950D+01  0.567108D+01 -0.105419D+02 -0.883471D+01  0.923668D+01
                61            62            63            64            65 
      1  -0.787996D+02 -0.111764D+02  0.247521D+02 -0.229048D+01  0.321253D+02
      2   0.462767D+02  0.486740D+01 -0.226448D+02 -0.130590D+02 -0.263766D+02
      3   0.325228D+02  0.630901D+01 -0.210728D+01  0.153495D+02 -0.574870D+01
      4  -0.231315D+02 -0.120209D+02  0.132177D+02  0.315461D+02 -0.127558D+02
      5   0.579925D+02  0.150969D+02 -0.361776D+02  0.142181D+02 -0.537780D+01
      6   0.109044D+02  0.945552D+01 -0.616007D+01 -0.144341D+02  0.277275D+01
                66            67            68            69            70 
      1   0.162298D+02  0.278388D+02  0.712475D+01  0.857349D+00  0.151636D+02
      2  -0.658829D+01 -0.224445D+02  0.153434D+01 -0.790122D+01 -0.150847D+01
      3  -0.964152D+01 -0.539427D+01 -0.865909D+01  0.704387D+01 -0.136552D+02
      4  -0.141353D+02 -0.779767D+01 -0.127596D+02  0.101710D+02 -0.182416D+02
      5  -0.104973D+02 -0.486908D+01  0.101632D+02  0.570732D+01 -0.133375D+02
      6   0.800632D+01  0.401263D+01 -0.105637D+02 -0.458559D+01  0.117053D+02
                71            72            73            74            75 
      1  -0.165220D+01 -0.751157D+01 -0.985408D+01 -0.949272D+01 -0.228351D+01
      2  -0.921389D+01  0.608337D+01  0.624691D+01  0.359689D+01  0.743141D+01
      3   0.108661D+02  0.142820D+01  0.360717D+01  0.589583D+01 -0.514789D+01
      4   0.115335D+02  0.168005D+02 -0.949139D+01  0.480621D+01  0.161768D+02
      5   0.110612D+02 -0.286720D+02  0.610802D+01  0.165794D+02 -0.207786D+02
      6  -0.542074D+01  0.196204D+02  0.344656D+01  0.847365D+01  0.780397D+00
                76            77            78            79            80 
      1  -0.119249D+02  0.196227D+02  0.273018D+02  0.311828D+01  0.273024D+02
      2   0.578390D+01 -0.821446D+01 -0.148735D+02  0.786041D+01 -0.159954D+02
      3   0.614095D+01 -0.114083D+02 -0.124283D+02 -0.109787D+02 -0.113070D+02
      4   0.129095D+02  0.138382D+02  0.113900D+02  0.290755D+02  0.159500D+02
      5   0.275485D+02  0.761702D+01  0.566124D+01 -0.295343D+02  0.372632D+01
      6   0.766194D+01  0.180688D+01 -0.907261D+00 -0.174875D+01 -0.206490D+00
                81            82            83            84            85 
      1  -0.230620D+02 -0.346167D+02  0.238208D+01  0.918764D+01  0.441350D+01
      2   0.160437D+02  0.321889D+02  0.899114D+01 -0.794340D+01  0.819260D+01
      3   0.701834D+01  0.242783D+01 -0.113732D+02 -0.124425D+01 -0.126061D+02
      4   0.611202D-01  0.159520D+02  0.163041D+02  0.107023D+01  0.211597D+02
      5  -0.108642D+02  0.116226D+02  0.293767D+01  0.209197D+01  0.241312D+01
      6   0.489648D+01  0.171460D+02 -0.477188D+00  0.566398D-01  0.165098D+01
                86            87            88            89            90 
      1   0.832530D+01 -0.401825D+01  0.228708D+02  0.779776D+00  0.213528D+02
      2  -0.241081D+01  0.119385D+02 -0.190245D+02  0.104930D+02 -0.174230D+02
      3  -0.591449D+01 -0.792021D+01 -0.384629D+01 -0.112728D+02 -0.392976D+01
      4   0.247814D+01 -0.440619D+01 -0.130984D+01 -0.810741D+01 -0.135159D+02
      5   0.257068D+01 -0.108297D+02 -0.358457D+00 -0.161878D+02 -0.618994D+01
      6  -0.312517D+00 -0.156457D+02 -0.512332D+01 -0.258906D+02 -0.169158D+02
                91            92            93            94            95 
      1  -0.576502D+02  0.613034D+00 -0.324973D+02 -0.105074D+02  0.211995D+02
      2   0.354035D+02 -0.620429D+01  0.778465D+01  0.331885D+01 -0.221855D+02
      3   0.222467D+02  0.559125D+01  0.247127D+02  0.718859D+01  0.986054D+00
      4   0.123506D+01  0.163333D+02 -0.452818D+00  0.109479D+02  0.241953D+02
      5  -0.292657D+02 -0.243761D+01  0.114282D+02 -0.687838D+01  0.302275D+01
      6  -0.492788D+00  0.524891D+01 -0.264322D+00  0.402477D+01  0.725109D+01
                96            97            98            99           100 
      1   0.316276D+01 -0.174892D+02  0.534095D+01  0.167272D+02  0.381450D+02
      2   0.881675D+01  0.268799D+01 -0.175387D+00 -0.378774D+01 -0.245447D+02
      3  -0.119795D+02  0.148012D+02 -0.516557D+01 -0.129394D+02 -0.136003D+02
      4   0.680056D+00 -0.316892D+01  0.542379D+01 -0.141835D+02  0.214785D+01
      5  -0.132480D+02  0.135476D+02 -0.120865D+02  0.539338D+01  0.250263D+02
      6   0.254357D+01 -0.271552D+01  0.664080D+01 -0.983149D+01 -0.436249D-01
               101           102           103           104           105 
      1  -0.130515D+01  0.163984D+02 -0.108650D+02  0.317319D+01 -0.771689D+01
      2   0.156515D+01 -0.128754D+02  0.751569D+01 -0.257407D+01  0.606692D+01
      3  -0.259997D+00 -0.352299D+01  0.334933D+01 -0.599118D+00  0.164997D+01
      4   0.666565D+01 -0.175755D+01  0.767794D+01 -0.652682D+01  0.465026D+01
      5  -0.375513D+01  0.219923D+02 -0.108158D+02  0.618096D+01 -0.887709D+01
      6   0.116339D+01  0.136024D+01  0.217038D+01 -0.188789D+01  0.339870D+01
               106           107           108           109           110 
      1   0.275328D+02 -0.483891D+01  0.170172D+02  0.518314D+02  0.147929D+02
      2  -0.224354D+02  0.459949D+01 -0.206143D+02 -0.239850D+02 -0.428224D+01
      3  -0.509739D+01  0.239423D+00  0.359705D+01 -0.278463D+02 -0.105107D+02
      4  -0.186646D+01  0.806181D+01  0.128147D+00  0.271559D+02  0.162584D+02
      5   0.334212D+02 -0.264172D+01  0.353592D+02 -0.167383D+02 -0.733758D+01
      6   0.136558D+01  0.400454D+01  0.190553D+01 -0.625220D+01 -0.318431D+01
               111           112           113           114           115 
      1  -0.134491D+02  0.170277D+02  0.649236D+01 -0.697674D+01 -0.301639D+02
      2   0.590834D+01 -0.455719D+01  0.241229D+01  0.247534D+01  0.140379D+02
      3   0.754081D+01 -0.124706D+02 -0.890465D+01  0.450140D+01  0.161259D+02
      4  -0.975012D+01  0.199980D+02  0.164887D+02 -0.873555D+01 -0.197145D+02
      5   0.164131D+02 -0.901314D+01 -0.718340D+01  0.599469D+01  0.245950D+02
      6   0.380475D+01 -0.461204D+01 -0.301328D+01  0.466809D+01  0.741802D+01
               116           117           118           119           120 
      1  -0.104219D+02  0.152309D+02  0.138150D+01 -0.643077D+00  0.200560D+01
      2   0.319668D+01 -0.102748D+02 -0.353487D+01  0.276992D+00 -0.200610D+00
      3   0.722526D+01 -0.495613D+01  0.215337D+01  0.366084D+00 -0.180499D+01
      4  -0.158947D+02  0.103323D+02 -0.165614D+01  0.271815D+01 -0.188835D+00
      5   0.761234D+01 -0.189926D+02  0.127135D+01 -0.969993D+00  0.591571D+01
      6   0.535555D+01 -0.710205D+01 -0.158487D+01  0.606703D-01  0.283428D+00
               121           122           123           124           125 
      1   0.156519D+01 -0.667590D+01  0.695315D+01  0.112285D+00  0.438866D+01
      2  -0.212309D+00  0.201001D+01  0.537501D+00 -0.645130D+00  0.258251D+01
      3  -0.135288D+01  0.466589D+01 -0.749065D+01  0.532844D+00 -0.697117D+01
      4   0.293517D+01 -0.291953D+01  0.242573D+01 -0.324246D+00  0.496632D+01
      5  -0.165219D+01  0.199605D+01 -0.450634D+01  0.560094D+01 -0.277670D+01
      6   0.266494D+00 -0.532966D+01  0.703541D+01 -0.257621D+00  0.625539D+01
               126           127           128           129           130 
      1  -0.188771D+02 -0.109401D+01  0.742363D+01 -0.308079D+01  0.562801D+01
      2  -0.100386D+02  0.284615D+01 -0.104166D+02  0.344990D+01 -0.556991D+01
      3   0.289157D+02 -0.175214D+01  0.299299D+01 -0.369102D+00 -0.580930D-01
      4  -0.375316D+01 -0.193704D+01  0.138134D+01 -0.180677D+01  0.422269D+01
      5   0.103822D+02 -0.143299D+01  0.371226D+00 -0.377054D+00  0.663994D+00
      6  -0.576120D+01 -0.418102D+01  0.113598D+01 -0.237775D+01  0.542747D+00
               131           132           133           134           135 
      1  -0.226417D+02  0.587673D+01 -0.668755D+01  0.129732D+02 -0.109786D+02
      2   0.347342D+02 -0.107100D+02  0.445815D+01 -0.213563D+02  0.119124D+02
      3  -0.120926D+02  0.483328D+01  0.222940D+01  0.838315D+01 -0.933808D+00
      4   0.118102D+02 -0.301256D+01 -0.441899D+01 -0.745360D+01  0.435442D+01
      5  -0.501103D+01  0.546552D+01 -0.244431D+00  0.658308D+01 -0.606320D+01
      6  -0.596569D+01  0.987911D+01 -0.528054D+00  0.111722D+02 -0.794711D+01
               136           137           138           139           140 
      1   0.494165D+01  0.424847D+01  0.307227D+01  0.320247D+01 -0.193486D+02
      2  -0.479254D+01 -0.308943D+01 -0.103795D+01 -0.204362D+01  0.187352D+02
      3  -0.149103D+00 -0.115904D+01 -0.203432D+01 -0.115885D+01  0.613485D+00
      4   0.450629D+01  0.503906D+01  0.468064D+01  0.664237D+01  0.148058D+02
      5   0.291190D+01  0.354233D+01  0.577063D+01  0.339235D+01  0.989092D+01
      6   0.323452D+01  0.147536D+00  0.151031D+00  0.294261D+01  0.215658D+02
               141           142           143           144           145 
      1  -0.124512D+02 -0.740839D+00 -0.217471D+02 -0.267883D+02 -0.234191D+01
      2   0.806707D+01  0.114298D+01  0.127387D+02  0.574397D+01 -0.424287D+00
      3   0.438408D+01 -0.402136D+00  0.900840D+01  0.210443D+02  0.276620D+01
      4   0.983282D+01  0.977013D+01  0.157446D+02  0.147921D+02  0.976352D+00
      5   0.100741D+02  0.100446D+02  0.168083D+02  0.214354D+02 -0.179728D+01
      6   0.205954D+02  0.674600D+01  0.304792D+02  0.340628D+02 -0.173944D+01
               146           147           148           149           150 
      1   0.248375D+01 -0.547629D+01  0.388764D+01 -0.127181D+02  0.992735D+01
      2  -0.233885D+00  0.126631D+01 -0.178006D+01  0.512683D+01  0.375600D+01
      3  -0.224986D+01  0.420999D+01 -0.210757D+01  0.759128D+01 -0.136834D+02
      4  -0.169812D+00  0.673191D+00  0.483604D+00  0.179976D+02 -0.768818D+01
      5  -0.794063D+00  0.334458D+01 -0.398177D+01 -0.511940D+01  0.866271D+01
      6   0.422199D+01 -0.206833D+01  0.280946D+01 -0.215200D+02  0.128016D+02
               151           152           153           154           155 
      1  -0.295844D+01  0.626575D+01 -0.674295D+01  0.240549D+02 -0.396732D+01
      2   0.136327D+01  0.116748D+01 -0.264143D+01 -0.223706D+02  0.299300D+01
      3   0.159516D+01 -0.743324D+01  0.938438D+01 -0.168439D+01  0.974318D+00
      4   0.358076D+00 -0.494524D+01  0.423320D+01 -0.118944D+02  0.970539D+01
      5   0.438568D+01  0.291818D+01 -0.370365D+01 -0.385165D+02  0.902857D+01
      6  -0.164601D+01  0.107902D+02 -0.724243D+01  0.814035D+01 -0.671466D+01
               156           157           158           159           160 
      1  -0.790829D+01 -0.465989D+01  0.156663D-01 -0.746332D+00 -0.669549D+01
      2   0.182359D+02  0.377301D+01 -0.136383D+01 -0.340633D+01  0.139069D+02
      3  -0.103276D+02  0.886880D+00  0.134816D+01  0.415266D+01 -0.721139D+01
      4   0.727066D+01  0.836819D+01 -0.553411D+01 -0.736900D+01  0.527769D+01
      5   0.342675D+02  0.100806D+02 -0.814311D+01 -0.965316D+01  0.253525D+02
      6  -0.656547D+01 -0.540240D+01  0.448224D+01  0.824990D+01 -0.480858D+01
               161           162           163           164           165 
      1  -0.516928D+00  0.906695D+00 -0.105490D+02 -0.991638D+01 -0.142734D+02
      2  -0.188257D+01 -0.152694D+02  0.227826D+01  0.525905D+01  0.295379D+00
      3   0.239950D+01  0.143627D+02  0.827075D+01  0.465733D+01  0.139780D+02
      4  -0.494074D+01 -0.616161D+01  0.393224D+00 -0.166395D+01 -0.148012D+00
      5  -0.629015D+01 -0.267234D+02  0.743792D+01  0.425326D+01  0.303623D+01
      6   0.641648D+01  0.675501D+01  0.786331D+01  0.971307D+01  0.700169D+01
               166           167           168           169           170 
      1  -0.893434D+01 -0.133132D+02 -0.993332D+01 -0.749720D+01 -0.552316D+01
      2   0.488620D+01  0.798150D+01  0.184212D+00  0.722816D+00 -0.693475D-01
      3   0.404814D+01  0.533174D+01  0.974910D+01  0.677438D+01  0.559251D+01
      4   0.325267D+00 -0.189472D+01 -0.307483D+01  0.234948D+00 -0.193807D+01
      5   0.649062D+01  0.965683D+00 -0.203810D+01  0.627560D+01  0.111561D+00
      6   0.644687D+01  0.101862D+02  0.105300D+02  0.376466D+01  0.730523D+01
               171           172           173           174           175 
      1  -0.909055D+01  0.497307D+01 -0.460851D+01  0.343686D+01 -0.113376D+01
      2  -0.206057D+01 -0.184804D+01  0.229992D+01 -0.271309D+01  0.253702D+00
      3   0.111511D+02 -0.312503D+01  0.230859D+01 -0.723766D+00  0.880057D+00
      4  -0.144648D+01 -0.820522D+01  0.585381D+01 -0.379368D+01  0.383995D+01
      5   0.218903D+00  0.620762D+01 -0.225478D+01  0.104240D+02 -0.101179D+01
      6   0.640428D+01 -0.286735D+01  0.170224D+01 -0.501092D+01  0.183623D+01
               176           177           178           179           180 
      1  -0.341183D+01  0.290268D+01  0.549840D+01  0.496270D+01 -0.515925D+01
      2   0.307243D+01 -0.387507D+01 -0.393114D+01 -0.695746D+01 -0.737829D+01
      3   0.339402D+00  0.972384D+00 -0.156726D+01  0.199476D+01  0.125375D+02
      4  -0.242143D+01  0.521858D+01 -0.937567D+01  0.129708D+02 -0.138393D+02
      5   0.478351D+01 -0.354697D+01  0.154845D+02 -0.109114D+02  0.373564D+02
      6  -0.447288D+01  0.824443D+01 -0.869667D+01  0.131136D+02 -0.291549D+02
               181           182           183           184           185 
      1  -0.137423D+02 -0.238136D+02 -0.526812D+01 -0.148640D+02 -0.259709D+02
      2   0.142878D+02  0.284000D+02  0.396549D+01  0.147101D+02  0.352780D+02
      3  -0.545415D+00 -0.458647D+01  0.130262D+01  0.153950D+00 -0.930711D+01
      4   0.526994D+01 -0.155724D+01  0.236850D+01  0.575158D+01 -0.738551D+01
      5  -0.290754D+01 -0.724808D+00 -0.156144D+01 -0.102383D+01 -0.292927D+01
      6   0.304430D+01  0.152412D+01  0.551517D+01  0.915526D+00  0.327047D+01
               186           187           188           189           190 
      1  -0.418163D+01 -0.555576D+01 -0.553241D+01 -0.534274D+01  0.426865D+02
      2   0.533923D+01  0.293079D+01  0.817822D+01  0.439369D+01 -0.111953D+02
      3  -0.115760D+01  0.262497D+01 -0.264581D+01  0.949047D+00 -0.314912D+02
      4  -0.129680D+01  0.370082D+01 -0.411981D+01 -0.209806D+01 -0.454625D+02
      5  -0.338730D+01  0.133700D+01 -0.325746D+01  0.843293D+00 -0.140106D+02
      6   0.649808D+01  0.168745D+01  0.703852D+01  0.173446D+01  0.888581D+01
               191           192           193           194           195 
      1  -0.148078D+02 -0.111864D+02 -0.113780D+02  0.352940D+01  0.110974D+01
      2  -0.250696D+01  0.399663D+01 -0.110559D+01  0.802633D+01  0.297563D+01
      3   0.173148D+02  0.718975D+01  0.124836D+02 -0.115557D+02 -0.408537D+01
      4   0.308066D+02  0.121197D+02  0.219489D+02 -0.190603D+02 -0.770349D+01
      5   0.580378D+01  0.136826D+02  0.476934D+01 -0.541638D+01 -0.439536D+01
      6  -0.499108D+01 -0.911109D+01 -0.366661D+01  0.508017D+01  0.518721D+01
               196           197           198           199           200 
      1  -0.157149D+02  0.275972D+01  0.654429D+01 -0.897796D+00 -0.189136D+01
      2   0.418869D+01  0.542379D+01 -0.306194D+01  0.160023D+01  0.165110D+01
      3   0.115262D+02 -0.818351D+01 -0.348234D+01 -0.702435D+00  0.240267D+00
      4   0.201548D+02 -0.166165D+02 -0.125215D+02 -0.162324D+01  0.166209D+01
      5   0.142804D+02 -0.809179D+01 -0.975063D+01  0.287976D+01 -0.133145D+01
      6  -0.974728D+01  0.731504D+01  0.642283D+01  0.504552D-01  0.355032D+00
               201           202           203           204           205 
      1   0.177054D+01 -0.273549D+01 -0.290742D+01  0.570513D+01  0.396827D+01
      2  -0.127991D+01 -0.132046D+01  0.360677D+01 -0.311297D+01 -0.337065D+01
      3  -0.490627D+00  0.405595D+01 -0.699341D+00 -0.259216D+01 -0.597617D+00
      4  -0.199994D+01  0.176003D+01 -0.212575D+01  0.316163D+01 -0.226543D+01
      5   0.372180D+01 -0.117558D+01  0.145916D+01 -0.247337D+01  0.378970D+01
      6  -0.300370D+00  0.244812D+00 -0.435558D+01  0.370582D+01 -0.781575D+00
               206           207           208           209           210 
      1   0.629542D+01 -0.661609D+01  0.258826D+00  0.169124D+01 -0.274062D+01
      2  -0.535566D+01  0.131389D+01 -0.140181D+01 -0.849346D+00  0.566203D+00
      3  -0.939754D+00  0.530220D+01  0.114298D+01 -0.841897D+00  0.217442D+01
      4   0.371315D+01 -0.436534D+01  0.184413D+01  0.244681D+01 -0.226947D+01
      5  -0.362279D+01  0.545238D+01 -0.253786D+01 -0.255220D+01  0.518990D+01
      6   0.424696D+01 -0.642867D+01 -0.246731D+01  0.896826D-01  0.335020D+00
               211           212           213           214           215 
      1   0.326122D+01 -0.896773D+01  0.101459D+02 -0.337927D+01  0.964507D+01
      2  -0.401505D+01  0.400222D+01 -0.775632D+00  0.183218D+01 -0.261490D+01
      3   0.753830D+00  0.496551D+01 -0.937024D+01  0.154708D+01 -0.703016D+01
      4   0.509924D+00  0.553213D+01 -0.542598D+01 -0.288994D+01 -0.556483D+01
      5  -0.378881D+01 -0.658386D+01  0.970896D+01  0.374675D+01  0.772655D+01
      6  -0.104224D+00 -0.777361D+01  0.807329D+01  0.168831D+01  0.913825D+01
               216           217           218           219           220 
      1  -0.210309D+02  0.328966D+01 -0.868063D+01  0.452812D+01 -0.113797D+02
      2  -0.332883D+01  0.258424D+00  0.752186D+01 -0.884899D+00  0.511951D+01
      3   0.243598D+02 -0.354808D+01  0.115876D+01 -0.364323D+01  0.626020D+01
      4   0.663313D+01 -0.274478D+01 -0.363036D+01  0.144627D+01  0.798322D+01
      5  -0.184709D+02  0.443142D+00 -0.807204D-01 -0.404053D+01 -0.692747D+01
      6  -0.110718D+02 -0.125294D+01 -0.303909D+01  0.166129D+01  0.154274D+01
               221           222           223           224           225 
      1  -0.206282D+02  0.178122D+01  0.228313D+01  0.816000D+00 -0.605272D+01
      2   0.327556D+02 -0.784366D+00 -0.119983D+01  0.236492D+01  0.247678D+01
      3  -0.121274D+02 -0.996855D+00 -0.108330D+01 -0.318092D+01  0.357594D+01
      4  -0.463280D+02  0.634651D+01  0.212049D+01 -0.286077D+01 -0.288708D+01
      5   0.400331D+01 -0.102440D+02  0.214766D+00 -0.304531D+01  0.138027D+01
      6  -0.158944D+02  0.761617D+01  0.248929D+00  0.477520D+01 -0.660718D+00
               226           227           228           229           230 
      1  -0.497195D+01  0.373006D+01  0.166359D+02  0.586742D+01 -0.895177D+01
      2  -0.151479D+01 -0.445167D-01  0.978965D+00 -0.262734D+01  0.364676D+01
      3   0.648674D+01 -0.368554D+01 -0.176149D+02 -0.324007D+01  0.530500D+01
      4   0.399619D+01 -0.571437D+01 -0.832287D+00 -0.120879D+01  0.152531D+01
      5   0.665171D+00  0.794140D+00 -0.100076D+02  0.260420D+01  0.460426D+01
      6   0.137405D+01 -0.357356D+01 -0.559344D+00 -0.143516D+01  0.293657D+01
               231           232           233           234           235 
      1  -0.687157D+01  0.173417D+02 -0.500340D+01 -0.244745D+02  0.837902D+02
      2  -0.397783D+01 -0.575545D+01 -0.150402D+01 -0.970169D+01 -0.466147D+02
      3   0.108494D+02 -0.115863D+02  0.650742D+01  0.341762D+02 -0.371755D+02
      4   0.613086D+01 -0.409850D+01  0.751287D+01  0.578055D+01 -0.135810D+02
      5   0.110601D+02  0.256289D+01  0.401664D+01  0.270501D+02  0.420171D+02
      6   0.647965D+01 -0.105317D+01  0.552508D+01  0.204668D+01 -0.127284D+01
               236           237           238           239           240 
      1  -0.362326D+01  0.213179D+02  0.481213D+01  0.599834D+01  0.126211D+01
      2   0.539999D+00 -0.157136D+02 -0.336896D+01 -0.156223D+01 -0.193825D+01
      3   0.308326D+01 -0.560429D+01 -0.144317D+01 -0.443612D+01  0.676147D+00
      4   0.131781D+02 -0.366765D+01  0.100349D+02 -0.260985D+01  0.340076D+01
      5  -0.196955D+01  0.244710D+02  0.301566D+01  0.436881D+01  0.335020D+01
      6   0.398243D+01 -0.181166D+01  0.348075D+01 -0.575098D+00  0.221182D+01
               241           242           243 
      1   0.118434D+02 -0.487367D+00  0.856906D+01
      2  -0.991185D+01 -0.267651D+00 -0.908113D+01
      3  -0.193151D+01  0.755018D+00  0.512064D+00
      4  -0.164087D+01  0.195338D+01 -0.341026D+00
      5   0.172893D+02  0.358692D+00  0.125849D+02
      6  -0.194176D+01  0.185805D+01 -0.519806D+00
 Leave Link  716 at Wed Oct  6 14:26:47 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.172243D+03  0.819513D+01 -0.405121D+01
      2   0.819513D+01  0.112618D+03 -0.470849D+01
      3  -0.405121D+01 -0.470849D+01  0.113836D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.681198D+01  0.107764D+02  0.300822D+01
      2   0.173200D+02 -0.167229D+02 -0.214841D+02
      3  -0.309008D+02  0.396431D+02  0.232519D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.774717D+02  0.487463D+02 -0.194609D+02
      2  -0.545063D+02 -0.348630D+02 -0.158131D+02
      3  -0.229654D+02 -0.138833D+02  0.352740D+02
      4   0.411815D+02 -0.876941D+02 -0.545635D+02
      5  -0.987749D+01 -0.571453D+02 -0.413289D+02
      6  -0.296743D+02  0.225931D+01  0.287528D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.301842D+01 -0.319320D+01 -0.486117D+01 -0.376440D+01 -0.233345D+01
      2  -0.319320D+01 -0.226441D+01  0.192833D+00 -0.233345D+01  0.336722D+01
      3  -0.486117D+01  0.192833D+00  0.195568D+01  0.455691D+00 -0.308385D+01
                 6             7             8             9            10 
      1   0.455691D+00 -0.421395D+01  0.565173D+00  0.216632D+01 -0.201849D+02
      2  -0.308385D+01  0.565173D+00 -0.250805D+01 -0.128287D+01  0.460493D+01
      3  -0.921434D+00  0.216632D+01 -0.128287D+01  0.221196D+01  0.534835D+01
                11            12            13            14            15 
      1   0.460493D+01  0.534835D+01  0.701947D+01  0.260134D+00 -0.892514D+00
      2   0.182313D+01 -0.442029D-02  0.260134D+00 -0.621087D+00  0.241215D+01
      3  -0.442029D-02 -0.231145D+01 -0.892514D+00  0.241215D+01  0.179999D+01
                16            17            18            19            20 
      1   0.149320D+02 -0.767274D+00 -0.404633D+01  0.435665D+02  0.182784D+01
      2  -0.767274D+00  0.292869D+01  0.242467D+01  0.182784D+01  0.351457D+01
      3  -0.404633D+01  0.242467D+01 -0.311630D+01 -0.310007D+01  0.140526D+01
                21            22            23            24            25 
      1  -0.310007D+01 -0.280478D+01  0.676453D+01  0.365922D+01 -0.518309D+01
      2   0.140526D+01  0.676453D+01  0.148983D+01  0.640044D+00  0.289968D+01
      3   0.142907D+01  0.365922D+01  0.640044D+00 -0.386887D+01  0.266179D+01
                26            27            28            29            30 
      1   0.289968D+01  0.266179D+01 -0.609679D+02 -0.638117D+01  0.410598D+01
      2   0.402687D+00 -0.329172D+01 -0.638117D+01 -0.344441D+01 -0.456602D+00
      3  -0.329172D+01  0.285841D+01  0.410598D+01 -0.456602D+00 -0.224091D+01
                31            32            33            34            35 
      1  -0.134324D+02 -0.655019D+01 -0.723478D+00  0.799558D+01  0.129146D+00
      2  -0.655019D+01 -0.373315D+01 -0.118328D+01  0.129146D+00 -0.580704D+00
      3  -0.723478D+00 -0.118328D+01  0.198774D+01 -0.443979D+01  0.194476D+01
                36            37            38            39            40 
      1  -0.443979D+01  0.589433D+02  0.881851D+01 -0.525684D+01  0.143620D+02
      2   0.194476D+01  0.881851D+01  0.274569D+01  0.294207D+00  0.539337D+01
      3  -0.142927D+01 -0.525684D+01  0.294207D+00  0.938035D+00  0.958548D-01
                41            42            43            44            45 
      1   0.539337D+01  0.958548D-01 -0.705175D+01  0.237942D+00  0.346432D+01
      2   0.296155D+01  0.946435D+00  0.237942D+00  0.462059D+00 -0.284872D+01
      3   0.946435D+00 -0.305903D+01  0.346432D+01 -0.284872D+01  0.144384D+01
                46            47            48            49            50 
      1  -0.415044D+02 -0.867559D+01  0.500577D+01 -0.104316D+02 -0.277344D+01
      2  -0.867559D+01 -0.135686D+01  0.174402D+01 -0.277344D+01 -0.928586D+00
      3   0.500577D+01  0.174402D+01 -0.569694D+00  0.225385D+01 -0.211013D+00
                51            52            53            54            55 
      1   0.225385D+01  0.336626D+01  0.199950D+01 -0.162375D+01  0.337805D+02
      2  -0.211013D+00  0.199950D+01  0.402032D-02  0.119133D+01  0.682343D+01
      3   0.134844D+01 -0.162375D+01  0.119133D+01 -0.160524D+01 -0.488625D+01
                56            57            58            59            60 
      1   0.682343D+01 -0.488625D+01  0.159918D+02  0.718103D+01 -0.140838D+01
      2   0.255998D+01 -0.138964D+01  0.718103D+01  0.488408D+01 -0.194861D+01
      3  -0.138964D+01  0.241388D+01 -0.140838D+01 -0.194861D+01  0.722577D+00
                61            62            63            64            65 
      1  -0.172155D+02 -0.308483D+01  0.536474D+01  0.654923D+01 -0.454731D+01
      2  -0.308483D+01 -0.126164D+01  0.166946D+01 -0.454731D+01 -0.189223D+01
      3   0.536474D+01  0.166946D+01 -0.383360D+01 -0.301532D+01  0.466809D+00
                66            67            68            69            70 
      1  -0.301532D+01 -0.448413D+01 -0.160812D+01  0.647243D+00 -0.571250D+01
      2   0.466809D+00 -0.160812D+01  0.380944D+00 -0.212943D+01  0.768073D+00
      3   0.203620D+01  0.647243D+00 -0.212943D+01 -0.108788D+01  0.276507D+01
                71            72            73            74            75 
      1   0.768073D+00  0.276507D+01  0.961454D+00  0.950775D+00 -0.453023D+00
      2  -0.216894D+01 -0.212560D+01  0.950775D+00 -0.267506D+01 -0.290030D+01
      3  -0.212560D+01  0.563202D+01 -0.453023D+00 -0.290030D+01  0.223558D+01
                76            77            78            79            80 
      1   0.174933D+01 -0.282171D+01 -0.414273D+01 -0.111612D+01 -0.393375D+01
      2  -0.282171D+01 -0.216437D+01 -0.123798D+01 -0.393375D+01 -0.164949D+01
      3  -0.414273D+01 -0.123798D+01 -0.108760D+01  0.343257D+01 -0.714662D+00
                81            82            83            84            85 
      1   0.343257D+01 -0.748002D+01 -0.607991D+01 -0.184495D+01 -0.792693D+01
      2  -0.714662D+00 -0.607991D+01 -0.244575D+01  0.100177D+01 -0.431815D+01
      3   0.136061D+01 -0.184495D+01  0.100177D+01 -0.237424D-01  0.381392D+00
                86            87            88            89            90 
      1  -0.431815D+01  0.381392D+00  0.382478D+01  0.188578D+01 -0.181527D+00
      2   0.931229D+00  0.158037D-01  0.188578D+01  0.859921D+00  0.471204D+01
      3   0.158037D-01  0.345898D+01 -0.181527D+00  0.471204D+01  0.199263D+01
                91            92            93            94            95 
      1  -0.882253D+01 -0.675694D+00 -0.277969D+01 -0.236992D+01  0.138979D+01
      2  -0.675694D+00  0.222826D+01 -0.250075D+00  0.138979D+01  0.422439D+01
      3  -0.277969D+01 -0.250075D+00  0.284398D+01 -0.731890D+00 -0.514718D-01
                96            97            98            99           100 
      1  -0.731890D+00 -0.523144D+00 -0.533547D+00  0.282718D+01 -0.506151D+01
      2  -0.514718D-01 -0.533547D+00  0.490358D+00 -0.204194D+01  0.198879D+00
      3  -0.229582D+01  0.282718D+01 -0.204194D+01 -0.421996D+00 -0.249964D+01
               101           102           103           104           105 
      1   0.198879D+00 -0.249964D+01  0.153258D+01 -0.795929D+00  0.126893D+01
      2  -0.705948D+00  0.418760D+00 -0.795929D+00  0.943660D+00 -0.615833D+00
      3   0.418760D+00 -0.231419D+01  0.126893D+01 -0.615833D+00  0.121873D+01
               106           107           108           109           110 
      1  -0.423622D+01  0.778414D+00 -0.359641D+01 -0.690177D+01 -0.228081D+01
      2   0.778414D+00 -0.133394D+01  0.278489D+00 -0.228081D+01 -0.146546D+01
      3  -0.359641D+01  0.278489D+00 -0.443074D+01  0.203305D+01  0.935134D+00
               111           112           113           114           115 
      1   0.203305D+01 -0.255199D+01 -0.187703D+01  0.121919D+01  0.474352D+01
      2   0.935134D+00 -0.187703D+01 -0.186723D+01  0.907378D+00  0.191541D+01
      3  -0.186084D+01  0.121919D+01  0.907378D+00 -0.833177D+00 -0.301316D+01
               116           117           118           119           120 
      1   0.191541D+01 -0.301316D+01  0.451577D+00  0.592184D+00 -0.680601D+00
      2   0.181673D+01 -0.964964D+00  0.592184D+00 -0.244727D+00 -0.247623D+00
      3  -0.964964D+00  0.246073D+01 -0.680601D+00 -0.247623D+00  0.154011D-01
               121           122           123           124           125 
      1   0.199795D+01 -0.591665D+00 -0.537488D-01 -0.109361D+01  0.287397D-01
      2  -0.591665D+00  0.136052D+01 -0.132552D+01  0.287397D-01 -0.183020D+01
      3  -0.537488D-01 -0.132552D+01  0.216289D+01 -0.544769D+00  0.152049D+01
               126           127           128           129           130 
      1  -0.544769D+00  0.999003D+00 -0.336745D+00  0.650591D+00 -0.394974D+00
      2   0.152049D+01 -0.336745D+00  0.163097D+01 -0.488376D+00  0.642866D+00
      3  -0.587137D+01  0.650591D+00 -0.488376D+00  0.544271D+00 -0.335234D+00
               131           132           133           134           135 
      1   0.642866D+00 -0.335234D+00  0.144590D+01 -0.345050D+00  0.192384D+00
      2  -0.537861D+01  0.155051D+01 -0.345050D+00  0.338823D+01 -0.216215D+01
      3   0.155051D+01 -0.177082D+01  0.192384D+00 -0.216215D+01  0.208625D+01
               136           137           138           139           140 
      1   0.985731D+00 -0.289120D+00 -0.750870D+00  0.118322D+01 -0.359904D+00
      2  -0.289120D+00  0.212490D+00 -0.137354D+00 -0.359904D+00 -0.435904D+01
      3  -0.750870D+00 -0.137354D+00 -0.424070D-01 -0.557468D+00 -0.277452D+01
               141           142           143           144           145 
      1  -0.557468D+00 -0.218453D+01 -0.121522D+01 -0.951635D+00  0.611468D+00
      2  -0.277452D+01 -0.121522D+01 -0.459396D+01 -0.461309D+01 -0.559571D+00
      3  -0.274424D+01 -0.951635D+00 -0.461309D+01 -0.605164D+01  0.831630D+00
               146           147           148           149           150 
      1  -0.559571D+00  0.831630D+00 -0.102322D+01  0.870771D+00 -0.117663D+00
      2   0.912366D+00 -0.313855D+00  0.870771D+00 -0.532084D+01  0.226908D+01
      3  -0.313855D+00  0.397359D+00 -0.117663D+00  0.226908D+01 -0.301628D+01
               151           152           153           154           155 
      1   0.703057D+00 -0.232708D+00  0.726861D-01 -0.615715D+01  0.151271D+01
      2  -0.232708D+00  0.168362D+01 -0.140903D+01  0.151271D+01 -0.121285D+01
      3   0.726861D-01 -0.140903D+01  0.153031D+01  0.405464D+01 -0.910023D+00
               156           157           158           159           160 
      1   0.405464D+01  0.149684D+01 -0.953696D+00 -0.943247D+00  0.237422D+01
      2  -0.910023D+00 -0.953696D+00  0.736001D+00  0.133321D+01 -0.707119D+00
      3  -0.427789D+01 -0.943247D+00  0.133321D+01  0.150325D+01 -0.278624D+01
               161           162           163           164           165 
      1  -0.707119D+00 -0.278624D+01  0.366481D+01  0.164227D+01  0.162343D+01
      2   0.919488D+00  0.947765D+00  0.164227D+01  0.199177D+01  0.107887D+01
      3   0.947765D+00  0.366553D+01  0.162343D+01  0.107887D+01  0.240216D+01
               166           167           168           169           170 
      1   0.187285D+01  0.137756D+01  0.760115D+00  0.847114D+00  0.496809D+00
      2   0.137756D+01  0.214902D+01  0.168743D+01  0.496809D+00  0.101811D+01
      3   0.760115D+00  0.168743D+01  0.220277D+01  0.935830D+00  0.105476D+01
               171           172           173           174           175 
      1   0.935830D+00 -0.141349D+01  0.921147D+00 -0.832010D+00  0.489529D+00
      2   0.105476D+01  0.921147D+00 -0.220879D+00  0.273501D+00 -0.965677D-01
      3   0.183666D+01 -0.832010D+00  0.273501D+00 -0.118244D+01  0.204227D+00
               176           177           178           179           180 
      1  -0.965677D-01  0.204227D+00 -0.160695D+01  0.882078D+00 -0.200954D+01
      2   0.536658D+00 -0.896803D+00  0.882078D+00 -0.236941D+01  0.204670D+01
      3  -0.896803D+00  0.673731D+00 -0.200954D+01  0.204670D+01 -0.711955D+01
               181           182           183           184           185 
      1   0.242389D+01  0.192659D+01  0.733253D+00  0.168994D+01  0.159335D+01
      2   0.192659D+01  0.419196D+01  0.414941D+00  0.159335D+01  0.499634D+01
      3   0.733253D+00  0.414941D+00  0.920353D+00  0.269461D+00  0.760751D+00
               186           187           188           189           190 
      1   0.269461D+00  0.994464D+00  0.146295D+00  0.207258D+00 -0.725004D+01
      2   0.760751D+00  0.146295D+00  0.153869D+01  0.112008D+01  0.389844D+01
      3   0.967183D+00  0.207258D+00  0.112008D+01  0.226767D+00  0.206707D+01
               191           192           193           194           195 
      1   0.389844D+01  0.206707D+01  0.129110D+01 -0.201242D+01 -0.722240D+00
      2  -0.291845D+01 -0.902891D+00 -0.201242D+01  0.227164D+01  0.933910D+00
      3  -0.902891D+00 -0.188140D+01 -0.722240D+00  0.933910D+00  0.687400D+00
               196           197           198           199           200 
      1   0.360880D+01 -0.175922D+01 -0.203081D+01 -0.145024D+01 -0.905655D+00
      2  -0.175922D+01  0.219324D+01  0.129347D+01 -0.905655D+00 -0.253322D-01
      3  -0.203081D+01  0.129347D+01  0.132913D+01  0.113077D+01 -0.194933D+00
               201           202           203           204           205 
      1   0.113077D+01 -0.187162D+01  0.821191D+00  0.323537D+00  0.180523D+01
      2  -0.194933D+00  0.821191D+00 -0.136612D+01  0.140935D+01  0.362584D+00
      3   0.303927D+00  0.323537D+00  0.140935D+01 -0.187729D+01  0.506864D+00
               206           207           208           209           210 
      1   0.362584D+00  0.506864D+00  0.931246D+00  0.658588D+00 -0.802869D+00
      2   0.171371D+01 -0.171842D+01  0.658588D+00  0.546671D-01  0.441704D-02
      3  -0.171842D+01  0.374540D+01 -0.802869D+00  0.441704D-02 -0.845329D-01
               211           212           213           214           215 
      1   0.127016D+01 -0.310671D-01 -0.416505D+00 -0.164530D+01 -0.310388D+00
      2  -0.310671D-01  0.196165D+01 -0.186692D+01 -0.310388D+00 -0.216089D+01
      3  -0.416505D+00 -0.186692D+01  0.280360D+01  0.136569D+00  0.245691D+01
               216           217           218           219           220 
      1   0.136569D+00  0.945603D+00 -0.576669D+00  0.864864D-01 -0.226520D+01
      2   0.245691D+01 -0.576669D+00 -0.119148D+01  0.283658D+00  0.363033D+00
      3  -0.577412D+01  0.864864D-01  0.283658D+00 -0.941311D+00 -0.663900D+00
               221           222           223           224           225 
      1   0.363033D+00 -0.663900D+00  0.545530D+00  0.196155D+00 -0.164109D+00
      2  -0.751782D+01  0.952774D+00  0.196155D+00 -0.387119D+00 -0.575657D+00
      3   0.952774D+00 -0.161373D+01 -0.164109D+00 -0.575657D+00  0.354352D+00
               226           227           228           229           230 
      1  -0.463114D+00  0.728367D+00  0.102146D+01  0.889238D+00 -0.424887D+00
      2   0.728367D+00 -0.103785D+01 -0.128484D+00 -0.424887D+00  0.416594D+00
      3   0.102146D+01 -0.128484D+00 -0.282046D+01 -0.100466D+00  0.114669D+01
               231           232           233           234           235 
      1  -0.100466D+00  0.274965D+01 -0.405356D+00 -0.660346D+00  0.982435D+01
      2   0.114669D+01 -0.405356D+00  0.124303D+01  0.935604D+00 -0.603212D+00
      3   0.215528D+01 -0.660346D+00  0.935604D+00  0.570598D+01  0.307082D+01
               236           237           238           239           240 
      1  -0.603212D+00  0.307082D+01  0.485298D+00  0.890604D+00  0.270754D+00
      2   0.123584D+01 -0.189596D+00  0.890604D+00 -0.354486D+00  0.359730D+00
      3  -0.189596D+00  0.211539D+01  0.270754D+00  0.359730D+00  0.483604D+00
               241           242           243 
      1   0.184658D+01  0.269045D-02  0.131482D+01
      2   0.269045D-02  0.181762D+00  0.152291D+00
      3   0.131482D+01  0.152291D+00  0.121323D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.576427D+01 -0.550671D+01  0.178912D+00 -0.513061D+01  0.986291D+01
      2   0.781947D+01  0.721712D+01  0.100649D+02  0.656511D+01  0.119643D+02
      3  -0.641801D+01 -0.759496D+01 -0.131524D+01 -0.364164D+01  0.504156D+01
                 6             7             8             9            10 
      1  -0.106419D+02 -0.672892D+00 -0.415538D+01 -0.233881D+01  0.908515D+00
      2   0.778723D+00  0.237463D+01  0.210582D+01 -0.779389D+01 -0.195003D+02
      3  -0.533665D+01 -0.461029D+00 -0.473808D+01 -0.180613D+01  0.124983D+02
                11            12            13            14            15 
      1   0.220876D+01  0.136045D+01  0.217952D+01 -0.437874D+01 -0.456506D+01
      2  -0.134236D+01  0.826885D+01 -0.140412D+01 -0.873142D+01 -0.486138D+01
      3   0.349598D+01  0.387981D+01  0.135077D+02  0.316058D+01  0.602296D+01
                16            17            18            19            20 
      1   0.471717D+00  0.517302D+01  0.352487D+01 -0.235408D+01 -0.653708D+00
      2   0.868232D+01 -0.529815D+01  0.711370D+01  0.254813D+02  0.238772D+01
      3  -0.576968D+00  0.599612D+01  0.397698D+01 -0.169985D+02 -0.589375D+01
                21            22            23            24            25 
      1  -0.847329D+00  0.406104D+00 -0.102039D+01 -0.422868D+01 -0.342548D+00
      2   0.981457D+00  0.147894D+01  0.534075D+01  0.610919D+01 -0.143180D+02
      3  -0.511727D-01  0.393687D+01 -0.470790D+01 -0.758486D+00 -0.146084D+01
                26            27            28            29            30 
      1   0.253334D+00  0.401653D+01  0.702798D+01 -0.835053D+00 -0.687776D+00
      2   0.444331D+01 -0.958256D-01 -0.294907D+02 -0.522060D+01 -0.185855D+01
      3  -0.236282D+01 -0.298962D+01  0.148150D+02  0.604681D+01  0.538645D+00
                31            32            33            34            35 
      1  -0.541192D+01  0.690455D+00 -0.206974D+01 -0.323486D+01  0.264816D+01
      2  -0.151092D+02 -0.418294D+01 -0.366327D+00 -0.222236D+02 -0.306116D+01
      3   0.330414D+02  0.829366D+01 -0.144533D+01  0.391624D+01  0.127586D+01
                36            37            38            39            40 
      1  -0.391345D+01 -0.732924D+01  0.196924D+01  0.145598D+01  0.575537D+01
      2   0.162565D+00  0.229243D+02  0.595603D+01  0.442178D+01  0.138894D+02
      3   0.690223D+00 -0.215861D+02 -0.108614D+02 -0.301590D+00 -0.655943D+00
                41            42            43            44            45 
      1   0.311643D+00 -0.884321D+00  0.869579D+01  0.176221D+01  0.461523D+00
      2   0.577441D+01 -0.566335D+01 -0.105228D+02 -0.659167D+01  0.937533D+01
      3  -0.210135D+01 -0.380352D+01 -0.255069D+01 -0.539741D+01  0.401364D+01
                46            47            48            49            50 
      1   0.621911D+01 -0.894868D+01 -0.188361D+01 -0.401452D+01  0.844211D+01
      2  -0.690309D+01 -0.571960D+01 -0.866896D+01 -0.486993D+01 -0.173794D-01
      3   0.147653D+02  0.154138D+02 -0.178099D+00  0.226703D+02  0.557264D+01
                51            52            53            54            55 
      1  -0.110390D+02 -0.546215D+00  0.944848D-01 -0.114479D+02 -0.339790D+01
      2  -0.213308D+01 -0.169394D+02  0.984027D+00 -0.614440D+01  0.600675D+01
      3   0.277263D+01  0.143209D+01  0.116836D+00 -0.912889D+00 -0.115332D+02
                56            57            58            59            60 
      1   0.227203D+01 -0.625740D+00 -0.290671D+01 -0.321300D+01 -0.571571D+00
      2   0.533518D+00  0.169770D+02  0.584717D+01 -0.231662D+01  0.753708D+01
      3  -0.184486D+02  0.285601D+01 -0.137057D+02 -0.165136D+02  0.416977D+01
                61            62            63            64            65 
      1   0.437120D+00  0.274536D+01  0.347873D+01  0.706276D+01 -0.114948D+01
      2   0.242399D+01  0.275410D+01 -0.118840D+02  0.950741D+01 -0.212178D+01
      3   0.423717D+01  0.801036D+01 -0.424618D+01 -0.777347D+01 -0.196390D+02
                66            67            68            69            70 
      1  -0.527902D+01 -0.517809D+00  0.544552D+01  0.220474D+01 -0.792242D+01
      2  -0.361162D+01 -0.224043D+01  0.510500D+01  0.314388D+01 -0.108368D+02
      3  -0.538852D+01 -0.990449D+01 -0.484558D+01 -0.492462D+01 -0.302452D+01
                71            72            73            74            75 
      1   0.845896D+01 -0.131253D+02 -0.316540D+00 -0.248538D+01  0.315925D+01
      2   0.573824D+01 -0.138684D+02  0.213394D+01  0.126318D+02 -0.622435D+01
      3  -0.402170D+01 -0.146324D+00  0.569198D+01 -0.153792D+02 -0.127112D+02
                76            77            78            79            80 
      1  -0.284111D+01 -0.463557D+00 -0.263045D+01  0.509352D+01  0.159059D+01
      2   0.161567D+02  0.373532D+01  0.143675D+01 -0.179182D+02 -0.974760D+00
      3  -0.786311D+01 -0.379853D+01 -0.163998D+01 -0.149091D+02 -0.989798D+00
                81            82            83            84            85 
      1   0.151809D+01 -0.191058D+00  0.483945D+01 -0.135904D+01  0.470169D+01
      2  -0.329614D+01 -0.247737D+01 -0.783707D+01  0.357907D+00 -0.111201D+02
      3  -0.524924D+01 -0.713740D+01  0.449557D+01  0.480839D+01  0.136184D+02
                86            87            88            89            90 
      1  -0.670824D+00  0.680033D+01 -0.111339D+01  0.154811D+02  0.121709D+01
      2  -0.410880D+01 -0.480821D+01 -0.251145D+01 -0.574133D+01 -0.277790D+01
      3   0.789255D+01 -0.258117D+01  0.650554D+01 -0.261204D+01  0.851676D+01
                91            92            93            94            95 
      1  -0.219582D+01  0.538742D+01  0.410127D+01 -0.235718D+01  0.774288D+01
      2  -0.307776D+01 -0.177309D+00  0.181392D+02 -0.112127D+01 -0.401435D+01
      3   0.628691D+01 -0.103922D+02  0.305167D+01 -0.481696D+00 -0.163131D+02
                96            97            98            99           100 
      1  -0.764933D+01 -0.978798D+00  0.433448D+01 -0.446147D+01 -0.202629D+01
      2  -0.987936D+01  0.814659D+01 -0.691124D+01 -0.570909D+01  0.503788D+01
      3   0.823929D+00  0.205650D+01 -0.354656D+01  0.457207D+01  0.469274D+01
               101           102           103           104           105 
      1   0.157000D+01 -0.190460D+01  0.975942D+00 -0.173934D+01  0.274836D+00
      2  -0.183199D+01  0.850952D+01 -0.355289D+01  0.167807D+01 -0.385496D+01
      3  -0.398561D+01  0.383024D+01 -0.180979D+01  0.487676D+01 -0.283006D+01
               106           107           108           109           110 
      1  -0.326729D+01  0.324278D+01 -0.340666D+01  0.257897D+01  0.400739D+00
      2   0.763515D+01 -0.869418D+00  0.139598D+02 -0.869445D+01 -0.397947D+01
      3   0.637362D+01 -0.638312D+01  0.409099D+01 -0.507183D+00 -0.527502D+01
               111           112           113           114           115 
      1  -0.269842D+01  0.198627D+01  0.810191D+00 -0.223597D+01 -0.287428D+01
      2   0.950796D+01 -0.532821D+01 -0.381472D+01  0.410989D+01  0.961504D+01
      3   0.127560D+01 -0.143157D+01 -0.500851D+01  0.184258D+01  0.223932D+01
               116           117           118           119           120 
      1   0.494535D+00  0.332169D+01 -0.608111D+00  0.161637D+00  0.118023D+00
      2   0.338826D+01 -0.110285D+02  0.259703D+01  0.549046D+00  0.726037D+00
      3   0.601405D+01 -0.356983D+00  0.833860D+00 -0.950922D+00  0.373298D+00
               121           122           123           124           125 
      1  -0.133048D+01 -0.270955D+01  0.544469D+00 -0.891966D+00  0.450687D+01
      2   0.193461D+01  0.514365D+00 -0.248478D+01 -0.410977D+01 -0.152355D+01
      3   0.176441D+01  0.864936D+00 -0.113691D+01  0.105961D+00 -0.165753D+01
               126           127           128           129           130 
      1  -0.245822D+01  0.228615D+01 -0.202110D+01  0.240805D+01 -0.167859D+01
      2   0.528395D+01 -0.687459D+00  0.766781D+00  0.548850D+00  0.100631D+01
      3   0.189153D+01 -0.340762D+01  0.209151D+01 -0.262830D+01  0.431829D+01
               131           132           133           134           135 
      1   0.703322D+01 -0.737431D+01  0.957320D+00 -0.589051D+01  0.850087D+01
      2  -0.185444D+01  0.228826D+01 -0.747424D+00  0.316658D+01 -0.291697D+01
      3  -0.107446D+02  0.371367D+01 -0.509183D+01  0.674387D+01 -0.488704D+01
               136           137           138           139           140 
      1  -0.105011D+01 -0.653148D+00  0.962146D-01 -0.597618D+00 -0.613157D+00
      2   0.168275D+01  0.163258D+00  0.341008D+00  0.106787D+00  0.448586D+01
      3  -0.894372D+00 -0.199809D+00  0.894412D+00  0.158094D+01 -0.755478D+01
               141           142           143           144           145 
      1  -0.521929D+01 -0.148056D+00 -0.285118D+01 -0.965940D+01 -0.143920D+01
      2   0.454232D+01 -0.293812D+01  0.688286D+01  0.971065D+01 -0.419989D+01
      3  -0.414148D+01  0.265627D+01 -0.663314D+01 -0.730158D+01 -0.156717D+01
               146           147           148           149           150 
      1   0.289628D+01 -0.271772D+00  0.267652D+01 -0.144436D+02  0.180610D+01
      2   0.206975D+01 -0.138692D+01  0.435920D+01 -0.707120D+01  0.577665D+01
      3   0.940384D+00 -0.330653D+00  0.405911D+01 -0.862005D+01  0.365276D+01
               151           152           153           154           155 
      1  -0.434768D+00  0.474197D+01 -0.289002D+01  0.192832D+01 -0.351692D+01
      2  -0.271100D+01  0.331712D+01 -0.284203D+01  0.483105D+01 -0.128926D+01
      3  -0.757059D+00  0.259541D+01 -0.237307D+01  0.119729D+01 -0.401737D+01
               156           157           158           159           160 
      1   0.157574D+00 -0.136683D+01  0.117624D+01  0.758210D+00 -0.958224D+00
      2   0.365761D+01 -0.215157D+01 -0.124886D+01 -0.174973D+01 -0.330434D+01
      3  -0.660804D+00 -0.509902D+00  0.159610D+01  0.228487D+01 -0.701373D-01
               161           162           163           164           165 
      1   0.335992D+01  0.355724D+00  0.291284D+01  0.497863D+01  0.191971D+00
      2  -0.274715D+00 -0.201836D+01 -0.143753D+02 -0.626263D+01 -0.651389D+01
      3   0.244458D+01  0.983638D+00  0.645404D+01  0.274411D+01  0.273416D+01
               166           167           168           169           170 
      1   0.274294D+01  0.403715D+01  0.454319D+00  0.731923D+00  0.312523D+01
      2  -0.724292D+01 -0.685166D+01 -0.496702D+01 -0.584377D+01 -0.339319D+01
      3   0.539479D+01  0.354463D+01  0.350454D+01  0.149949D+01  0.137152D+01
               171           172           173           174           175 
      1   0.134758D+01  0.149596D+01 -0.242030D+00  0.282852D+01 -0.822245D+00
      2  -0.525740D+01  0.145586D+01 -0.561995D+00  0.354071D+01 -0.319895D+00
      3   0.261398D+01  0.559858D+00  0.120924D+00 -0.759626D+00  0.138418D+01
               176           177           178           179           180 
      1   0.196381D+01 -0.247910D+01  0.381636D+01  0.348977D-02  0.163267D+02
      2   0.215275D+01 -0.160303D+01  0.143765D+01 -0.443692D+01  0.174555D+02
      3   0.102142D+01 -0.168266D+01 -0.177385D+01 -0.524698D+01  0.213888D+01
               181           182           183           184           185 
      1  -0.191283D+01 -0.864447D+00 -0.353133D+01 -0.104734D+01 -0.220937D+01
      2  -0.139096D+01 -0.669244D+00 -0.469987D+00 -0.232869D+00 -0.138920D+01
      3   0.143993D+02  0.138317D+02  0.305122D+01  0.105204D+02  0.167194D+02
               186           187           188           189           190 
      1  -0.423235D+01 -0.758286D+00 -0.101229D+01 -0.690289D+00 -0.492367D+01
      2  -0.126391D+01 -0.134342D+01 -0.234132D+01 -0.297328D+00 -0.560812D+01
      3   0.284962D+01  0.293871D+01  0.416024D+01  0.343098D+01 -0.421759D+01
               191           192           193           194           195 
      1   0.167647D+01  0.555289D+01  0.242460D+01 -0.223221D+01 -0.299690D+01
      2   0.273666D+01  0.770357D+01  0.175570D+01 -0.280494D+01 -0.277107D+01
      3  -0.298847D+01  0.204030D+01  0.230759D+01  0.269261D+01  0.768310D+00
               196           197           198           199           200 
      1   0.398507D+01 -0.110240D+01 -0.324753D+01  0.497067D-01  0.330689D+00
      2   0.452960D+01 -0.313573D+01 -0.442334D+01 -0.501881D+00 -0.501040D+00
      3   0.191693D+01  0.376529D+01 -0.374606D+00  0.954594D+00  0.505834D+00
               201           202           203           204           205 
      1   0.218895D+00  0.476488D+01  0.783439D+00 -0.307291D+01  0.259471D+01
      2  -0.181546D+00  0.159952D+01  0.129942D+01 -0.903972D+00 -0.271452D+01
      3  -0.767175D+00  0.325023D+01  0.293277D+00 -0.284160D+00 -0.238239D+01
               206           207           208           209           210 
      1   0.144544D+01  0.343506D+01 -0.103961D+01  0.469592D+00  0.855379D-03
      2   0.129986D+00  0.258077D+01 -0.871370D+00  0.687975D-01  0.542842D+00
      3  -0.896020D+00  0.530703D+00 -0.177641D+01 -0.615274D+00  0.414586D+00
               211           212           213           214           215 
      1   0.218289D+01 -0.196847D+01 -0.403348D+00  0.112460D+01  0.389248D+01
      2   0.625526D+00 -0.380797D+01  0.509758D+01 -0.382326D+01  0.440617D+01
      3   0.343624D+01 -0.355702D+01  0.396032D+01  0.410524D+00  0.442134D+01
               216           217           218           219           220 
      1   0.715860D+00  0.122498D+00 -0.236047D+01  0.237867D-01  0.349765D+00
      2  -0.101967D+02  0.936251D+00  0.215211D+01 -0.257176D+01  0.505163D+00
      3  -0.499106D+01  0.228911D+01  0.448984D+01 -0.112964D+01  0.208806D+01
               221           222           223           224           225 
      1  -0.119685D+02 -0.646323D+00  0.168271D+01 -0.878044D+00 -0.334577D+00
      2   0.419904D+01 -0.423770D+01 -0.478228D+00 -0.194344D+01  0.209845D+01
      3   0.264849D+02 -0.299872D+01 -0.151023D+01  0.180449D+01  0.209402D+01
               226           227           228           229           230 
      1   0.599847D+00 -0.192017D+01 -0.389193D+01  0.350923D+00  0.189257D+01
      2   0.669477D+01 -0.172961D+01 -0.122943D+02 -0.189770D+01  0.544362D+01
      3  -0.145770D+01  0.206810D+01 -0.333521D-01  0.111756D+01 -0.859324D+00
               231           232           233           234           235 
      1   0.348978D+01 -0.204014D+01  0.363947D+01  0.649390D+01  0.135609D+01
      2   0.882596D+01 -0.756924D+01  0.412472D+01  0.222551D+02 -0.135725D+01
      3  -0.403351D+01  0.157186D+00 -0.329699D+01 -0.246109D+01 -0.426226D+01
               236           237           238           239           240 
      1   0.199635D+01  0.112791D+01  0.552672D+00 -0.206393D+00 -0.308543D+00
      2  -0.343608D+00  0.640903D+01  0.760948D+00  0.521555D+00  0.190160D+01
      3  -0.631170D+01 -0.113945D+01 -0.187714D+01  0.668509D+00 -0.795194D+00
               241           242           243 
      1   0.692040D+00  0.120463D+01  0.905968D+00
      2  -0.107078D+00  0.956144D+00  0.258101D+01
      3  -0.187691D+01 -0.937783D+00 -0.144858D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.317274D+01  0.127213D+02  0.179444D+02  0.117118D+02  0.142322D+02
      2   0.776708D+01 -0.948899D+01 -0.165262D+02 -0.936819D+01  0.138259D+01
      3  -0.109398D+02 -0.323228D+01 -0.141816D+01 -0.234363D+01 -0.156148D+02
      4   0.128994D+02  0.354289D+01 -0.698140D+01  0.559084D+01 -0.149920D+02
      5   0.257897D+02 -0.126529D+02 -0.249023D+02 -0.138347D+02  0.450467D+01
      6  -0.143437D+02 -0.819813D+01  0.239561D+01 -0.702200D+01  0.995192D+01
                 6             7             8             9            10 
      1   0.827965D-01  0.128817D+02 -0.848703D-01 -0.155892D+02 -0.182209D+02
      2   0.291815D+01 -0.123929D+02  0.218546D+01 -0.169900D+01  0.161082D+02
      3  -0.300095D+01 -0.488759D+00 -0.210059D+01  0.172882D+02  0.211272D+01
      4   0.995985D+01 -0.716966D+01  0.847519D+01  0.674253D+01 -0.335155D+02
      5   0.424036D+01 -0.239278D+02  0.599210D+01 -0.731977D+00 -0.124874D+02
      6  -0.118160D+02  0.333301D+01 -0.106756D+02 -0.140426D+01  0.971116D+01
                11            12            13            14            15 
      1  -0.186689D+02 -0.836193D+01 -0.242180D+02 -0.223163D+02 -0.977103D+01
      2   0.143129D+02  0.561438D+01  0.172526D+02  0.212921D+01  0.541903D+01
      3   0.435601D+01  0.274755D+01  0.696535D+01  0.201871D+02  0.435199D+01
      4  -0.212707D+01  0.348193D+01 -0.519171D+01  0.241863D+01 -0.126719D+02
      5   0.986646D+00  0.124994D+02  0.222713D+01 -0.867433D+01 -0.562455D+01
      6  -0.207985D+01 -0.213617D+01  0.789105D+00  0.777475D+01  0.525789D+01
                16            17            18            19            20 
      1  -0.129919D+01 -0.850651D+01  0.997118D+01  0.635943D+02  0.110029D+02
      2  -0.455104D+01  0.787423D+01  0.785578D+00 -0.529059D+02 -0.108237D+02
      3   0.585023D+01  0.632275D+00 -0.107568D+02 -0.106884D+02 -0.179198D+00
      4   0.742935D+01 -0.155917D+02 -0.123045D+02  0.180520D+02 -0.113838D+02
      5   0.127515D+02 -0.908761D+01  0.142930D+02 -0.189320D+02 -0.705595D+01
      6  -0.654354D+01  0.522029D+01 -0.592561D+01 -0.226532D+02 -0.571389D+01
                21            22            23            24            25 
      1   0.888505D+00  0.100236D+02  0.993826D+01 -0.983222D+00  0.289815D+01
      2  -0.197373D+01 -0.120625D+02 -0.646272D+01 -0.644362D+01  0.128774D+01
      3   0.108522D+01  0.203888D+01 -0.347554D+01  0.742684D+01 -0.418588D+01
      4  -0.670097D+01 -0.235211D+02 -0.509281D+01  0.203825D+01 -0.119904D+02
      5  -0.801027D+00 -0.110224D+02 -0.452074D+01  0.688329D+01 -0.642041D+01
      6  -0.131794D+01 -0.902718D+01 -0.552521D+01 -0.199566D+01 -0.912860D+00
                26            27            28            29            30 
      1  -0.134035D+01  0.605496D+01 -0.131075D+03 -0.131893D+02  0.525589D+01
      2  -0.760139D+01  0.706135D+01  0.841805D+02  0.712246D+01 -0.467091D+01
      3   0.894174D+01 -0.131163D+02  0.468949D+02  0.606687D+01 -0.584982D+00
      4   0.429615D+01  0.837234D+01 -0.205740D+02 -0.105265D+02  0.512866D-01
      5   0.488411D+01 -0.445981D+01  0.352974D+02  0.210460D+01 -0.117357D+02
      6  -0.315089D+00  0.723611D+01  0.255804D+02  0.580295D+01  0.406439D+00
                31            32            33            34            35 
      1  -0.398290D+02 -0.266847D+02 -0.597484D+01  0.257043D+02 -0.350704D+01
      2   0.279835D+02  0.204544D+02  0.370274D+01 -0.132959D+02  0.601845D+01
      3   0.118455D+02  0.623035D+01  0.227210D+01 -0.124084D+02 -0.251141D+01
      4  -0.158210D+02 -0.117397D+02 -0.335597D+01  0.309889D+01 -0.339368D+01
      5   0.733506D+01  0.207945D+01 -0.584365D+00 -0.903300D+01  0.185279D+01
      6   0.708133D+01  0.103701D+02  0.482409D+01  0.129967D+00  0.175058D+01
                36            37            38            39            40 
      1  -0.130219D+02  0.184383D+03  0.323500D+02 -0.159247D+02  0.360062D+02
      2   0.172729D+01 -0.106816D+03 -0.185123D+02  0.103896D+02 -0.174152D+02
      3   0.112946D+02 -0.775672D+02 -0.138377D+02  0.553515D+01 -0.185910D+02
      4   0.972001D+00  0.399738D+02  0.189880D+02  0.835769D+00  0.302397D+02
      5   0.255559D-02 -0.499126D+02 -0.331643D+01  0.126440D+02 -0.194171D+01
      6   0.474132D+01 -0.250088D+02 -0.572742D+01  0.541221D-01 -0.101433D+02
                41            42            43            44            45 
      1   0.899123D+01 -0.107904D+02 -0.568939D+01 -0.964686D+01  0.108048D+02
      2   0.153887D+01 -0.122830D+01  0.977414D+01  0.413575D+01 -0.505836D+01
      3  -0.105301D+02  0.120187D+02 -0.408475D+01  0.551111D+01 -0.574647D+01
      4   0.674954D+01  0.116139D+01  0.885978D+01  0.624010D+01 -0.101074D+02
      5   0.151618D+01 -0.126708D+02  0.178569D+02 -0.892312D+01  0.675713D+01
      6   0.148327D-01  0.875222D+00  0.514421D+00  0.187668D+00  0.100796D+02
                46            47            48            49            50 
      1  -0.168908D+03 -0.354924D+02  0.300986D+02 -0.579129D+02 -0.199937D+02
      2   0.884692D+02  0.164059D+02 -0.151811D+02  0.294450D+02  0.110788D+02
      3   0.804391D+02  0.190865D+02 -0.149175D+02  0.284680D+02  0.891488D+01
      4  -0.617038D+02 -0.298604D+02  0.111204D+02 -0.175835D+02 -0.100343D+02
      5   0.621011D+02  0.151455D+02 -0.247136D+02  0.275675D+02  0.116159D+01
      6   0.214088D+02  0.281428D+01 -0.595988D+01 -0.515730D+00  0.662471D+01
                51            52            53            54            55 
      1   0.110388D+02  0.341546D+02  0.115949D+02 -0.134832D+02  0.179367D+03
      2  -0.103397D+02 -0.117475D+02  0.306864D+00  0.106314D+02 -0.914564D+02
      3  -0.699027D+00 -0.224070D+02 -0.119017D+02  0.285181D+01 -0.879110D+02
      4  -0.413495D+00  0.215261D+02 -0.339359D+01  0.510473D+01  0.546358D+02
      5   0.497527D+01 -0.154306D+02  0.636871D+01 -0.117604D+02 -0.595095D+02
      6   0.873770D+00  0.519388D+01 -0.291836D+01  0.551190D+01 -0.112915D+02
                56            57            58            59            60 
      1   0.354626D+02 -0.317216D+02  0.696332D+02  0.308089D+02 -0.455312D+01
      2  -0.135710D+02  0.204068D+02 -0.294168D+02 -0.457594D+01  0.891850D+00
      3  -0.218917D+02  0.113148D+02 -0.402164D+02 -0.262329D+02  0.366127D+01
      4   0.363169D+02 -0.115191D+02  0.600372D+02  0.417800D+02 -0.154649D+02
      5  -0.136447D+02  0.363578D+02 -0.201715D+02 -0.173067D+02  0.102953D+02
      6  -0.550950D+01  0.567108D+01 -0.105419D+02 -0.883471D+01  0.923668D+01
                61            62            63            64            65 
      1  -0.787996D+02 -0.111764D+02  0.247521D+02 -0.229048D+01  0.321253D+02
      2   0.462767D+02  0.486740D+01 -0.226448D+02 -0.130590D+02 -0.263766D+02
      3   0.325228D+02  0.630901D+01 -0.210728D+01  0.153495D+02 -0.574870D+01
      4  -0.231315D+02 -0.120209D+02  0.132177D+02  0.315461D+02 -0.127558D+02
      5   0.579925D+02  0.150969D+02 -0.361776D+02  0.142181D+02 -0.537780D+01
      6   0.109044D+02  0.945552D+01 -0.616007D+01 -0.144341D+02  0.277275D+01
                66            67            68            69            70 
      1   0.162298D+02  0.278388D+02  0.712475D+01  0.857349D+00  0.151636D+02
      2  -0.658829D+01 -0.224445D+02  0.153434D+01 -0.790122D+01 -0.150847D+01
      3  -0.964152D+01 -0.539427D+01 -0.865909D+01  0.704387D+01 -0.136552D+02
      4  -0.141353D+02 -0.779767D+01 -0.127596D+02  0.101710D+02 -0.182416D+02
      5  -0.104973D+02 -0.486908D+01  0.101632D+02  0.570732D+01 -0.133375D+02
      6   0.800632D+01  0.401263D+01 -0.105637D+02 -0.458559D+01  0.117053D+02
                71            72            73            74            75 
      1  -0.165220D+01 -0.751157D+01 -0.985408D+01 -0.949272D+01 -0.228351D+01
      2  -0.921389D+01  0.608337D+01  0.624691D+01  0.359689D+01  0.743141D+01
      3   0.108661D+02  0.142820D+01  0.360717D+01  0.589583D+01 -0.514789D+01
      4   0.115335D+02  0.168005D+02 -0.949139D+01  0.480621D+01  0.161768D+02
      5   0.110612D+02 -0.286720D+02  0.610802D+01  0.165794D+02 -0.207786D+02
      6  -0.542074D+01  0.196204D+02  0.344656D+01  0.847365D+01  0.780397D+00
                76            77            78            79            80 
      1  -0.119249D+02  0.196227D+02  0.273018D+02  0.311828D+01  0.273024D+02
      2   0.578390D+01 -0.821446D+01 -0.148735D+02  0.786041D+01 -0.159954D+02
      3   0.614095D+01 -0.114083D+02 -0.124283D+02 -0.109787D+02 -0.113070D+02
      4   0.129095D+02  0.138382D+02  0.113900D+02  0.290755D+02  0.159500D+02
      5   0.275485D+02  0.761702D+01  0.566124D+01 -0.295343D+02  0.372632D+01
      6   0.766194D+01  0.180688D+01 -0.907261D+00 -0.174875D+01 -0.206490D+00
                81            82            83            84            85 
      1  -0.230620D+02 -0.346167D+02  0.238208D+01  0.918764D+01  0.441350D+01
      2   0.160437D+02  0.321889D+02  0.899114D+01 -0.794340D+01  0.819260D+01
      3   0.701834D+01  0.242783D+01 -0.113732D+02 -0.124425D+01 -0.126061D+02
      4   0.611202D-01  0.159520D+02  0.163041D+02  0.107023D+01  0.211597D+02
      5  -0.108642D+02  0.116226D+02  0.293767D+01  0.209197D+01  0.241312D+01
      6   0.489648D+01  0.171460D+02 -0.477188D+00  0.566398D-01  0.165098D+01
                86            87            88            89            90 
      1   0.832530D+01 -0.401825D+01  0.228708D+02  0.779776D+00  0.213528D+02
      2  -0.241081D+01  0.119385D+02 -0.190245D+02  0.104930D+02 -0.174230D+02
      3  -0.591449D+01 -0.792021D+01 -0.384629D+01 -0.112728D+02 -0.392976D+01
      4   0.247814D+01 -0.440619D+01 -0.130984D+01 -0.810741D+01 -0.135159D+02
      5   0.257068D+01 -0.108297D+02 -0.358457D+00 -0.161878D+02 -0.618994D+01
      6  -0.312517D+00 -0.156457D+02 -0.512332D+01 -0.258906D+02 -0.169158D+02
                91            92            93            94            95 
      1  -0.576502D+02  0.613034D+00 -0.324973D+02 -0.105074D+02  0.211995D+02
      2   0.354035D+02 -0.620429D+01  0.778465D+01  0.331885D+01 -0.221855D+02
      3   0.222467D+02  0.559125D+01  0.247127D+02  0.718859D+01  0.986054D+00
      4   0.123506D+01  0.163333D+02 -0.452818D+00  0.109479D+02  0.241953D+02
      5  -0.292657D+02 -0.243761D+01  0.114282D+02 -0.687838D+01  0.302275D+01
      6  -0.492788D+00  0.524891D+01 -0.264322D+00  0.402477D+01  0.725109D+01
                96            97            98            99           100 
      1   0.316276D+01 -0.174892D+02  0.534095D+01  0.167272D+02  0.381450D+02
      2   0.881675D+01  0.268799D+01 -0.175387D+00 -0.378774D+01 -0.245447D+02
      3  -0.119795D+02  0.148012D+02 -0.516557D+01 -0.129394D+02 -0.136003D+02
      4   0.680056D+00 -0.316892D+01  0.542379D+01 -0.141835D+02  0.214785D+01
      5  -0.132480D+02  0.135476D+02 -0.120865D+02  0.539338D+01  0.250263D+02
      6   0.254357D+01 -0.271552D+01  0.664080D+01 -0.983149D+01 -0.436249D-01
               101           102           103           104           105 
      1  -0.130515D+01  0.163984D+02 -0.108650D+02  0.317319D+01 -0.771689D+01
      2   0.156515D+01 -0.128754D+02  0.751569D+01 -0.257407D+01  0.606692D+01
      3  -0.259997D+00 -0.352299D+01  0.334933D+01 -0.599118D+00  0.164997D+01
      4   0.666565D+01 -0.175755D+01  0.767794D+01 -0.652682D+01  0.465026D+01
      5  -0.375513D+01  0.219923D+02 -0.108158D+02  0.618096D+01 -0.887709D+01
      6   0.116339D+01  0.136024D+01  0.217038D+01 -0.188789D+01  0.339870D+01
               106           107           108           109           110 
      1   0.275328D+02 -0.483891D+01  0.170172D+02  0.518314D+02  0.147929D+02
      2  -0.224354D+02  0.459949D+01 -0.206143D+02 -0.239850D+02 -0.428224D+01
      3  -0.509739D+01  0.239423D+00  0.359705D+01 -0.278463D+02 -0.105107D+02
      4  -0.186646D+01  0.806181D+01  0.128147D+00  0.271559D+02  0.162584D+02
      5   0.334212D+02 -0.264172D+01  0.353592D+02 -0.167383D+02 -0.733758D+01
      6   0.136558D+01  0.400454D+01  0.190553D+01 -0.625220D+01 -0.318431D+01
               111           112           113           114           115 
      1  -0.134491D+02  0.170277D+02  0.649236D+01 -0.697674D+01 -0.301639D+02
      2   0.590834D+01 -0.455719D+01  0.241229D+01  0.247534D+01  0.140379D+02
      3   0.754081D+01 -0.124706D+02 -0.890465D+01  0.450140D+01  0.161259D+02
      4  -0.975012D+01  0.199980D+02  0.164887D+02 -0.873555D+01 -0.197145D+02
      5   0.164131D+02 -0.901314D+01 -0.718340D+01  0.599469D+01  0.245950D+02
      6   0.380475D+01 -0.461204D+01 -0.301328D+01  0.466809D+01  0.741802D+01
               116           117           118           119           120 
      1  -0.104219D+02  0.152309D+02  0.138150D+01 -0.643077D+00  0.200560D+01
      2   0.319668D+01 -0.102748D+02 -0.353487D+01  0.276992D+00 -0.200610D+00
      3   0.722526D+01 -0.495613D+01  0.215337D+01  0.366084D+00 -0.180499D+01
      4  -0.158947D+02  0.103323D+02 -0.165614D+01  0.271815D+01 -0.188835D+00
      5   0.761234D+01 -0.189926D+02  0.127135D+01 -0.969993D+00  0.591571D+01
      6   0.535555D+01 -0.710205D+01 -0.158487D+01  0.606703D-01  0.283428D+00
               121           122           123           124           125 
      1   0.156519D+01 -0.667590D+01  0.695315D+01  0.112285D+00  0.438866D+01
      2  -0.212309D+00  0.201001D+01  0.537501D+00 -0.645130D+00  0.258251D+01
      3  -0.135288D+01  0.466589D+01 -0.749065D+01  0.532844D+00 -0.697117D+01
      4   0.293517D+01 -0.291953D+01  0.242573D+01 -0.324246D+00  0.496632D+01
      5  -0.165219D+01  0.199605D+01 -0.450634D+01  0.560094D+01 -0.277670D+01
      6   0.266494D+00 -0.532966D+01  0.703541D+01 -0.257621D+00  0.625539D+01
               126           127           128           129           130 
      1  -0.188771D+02 -0.109401D+01  0.742363D+01 -0.308079D+01  0.562801D+01
      2  -0.100386D+02  0.284615D+01 -0.104166D+02  0.344990D+01 -0.556991D+01
      3   0.289157D+02 -0.175214D+01  0.299299D+01 -0.369102D+00 -0.580930D-01
      4  -0.375316D+01 -0.193704D+01  0.138134D+01 -0.180677D+01  0.422269D+01
      5   0.103822D+02 -0.143299D+01  0.371226D+00 -0.377054D+00  0.663994D+00
      6  -0.576120D+01 -0.418102D+01  0.113598D+01 -0.237775D+01  0.542747D+00
               131           132           133           134           135 
      1  -0.226417D+02  0.587673D+01 -0.668755D+01  0.129732D+02 -0.109786D+02
      2   0.347342D+02 -0.107100D+02  0.445815D+01 -0.213563D+02  0.119124D+02
      3  -0.120926D+02  0.483328D+01  0.222940D+01  0.838315D+01 -0.933808D+00
      4   0.118102D+02 -0.301256D+01 -0.441899D+01 -0.745360D+01  0.435442D+01
      5  -0.501103D+01  0.546552D+01 -0.244431D+00  0.658308D+01 -0.606320D+01
      6  -0.596569D+01  0.987911D+01 -0.528054D+00  0.111722D+02 -0.794711D+01
               136           137           138           139           140 
      1   0.494165D+01  0.424847D+01  0.307227D+01  0.320247D+01 -0.193486D+02
      2  -0.479254D+01 -0.308943D+01 -0.103795D+01 -0.204362D+01  0.187352D+02
      3  -0.149103D+00 -0.115904D+01 -0.203432D+01 -0.115885D+01  0.613485D+00
      4   0.450629D+01  0.503906D+01  0.468064D+01  0.664237D+01  0.148058D+02
      5   0.291190D+01  0.354233D+01  0.577063D+01  0.339235D+01  0.989092D+01
      6   0.323452D+01  0.147536D+00  0.151031D+00  0.294261D+01  0.215658D+02
               141           142           143           144           145 
      1  -0.124512D+02 -0.740839D+00 -0.217471D+02 -0.267883D+02 -0.234191D+01
      2   0.806707D+01  0.114298D+01  0.127387D+02  0.574397D+01 -0.424287D+00
      3   0.438408D+01 -0.402136D+00  0.900840D+01  0.210443D+02  0.276620D+01
      4   0.983282D+01  0.977013D+01  0.157446D+02  0.147921D+02  0.976352D+00
      5   0.100741D+02  0.100446D+02  0.168083D+02  0.214354D+02 -0.179728D+01
      6   0.205954D+02  0.674600D+01  0.304792D+02  0.340628D+02 -0.173944D+01
               146           147           148           149           150 
      1   0.248375D+01 -0.547629D+01  0.388764D+01 -0.127181D+02  0.992735D+01
      2  -0.233885D+00  0.126631D+01 -0.178006D+01  0.512683D+01  0.375600D+01
      3  -0.224986D+01  0.420999D+01 -0.210757D+01  0.759128D+01 -0.136834D+02
      4  -0.169812D+00  0.673191D+00  0.483604D+00  0.179976D+02 -0.768818D+01
      5  -0.794063D+00  0.334458D+01 -0.398177D+01 -0.511940D+01  0.866271D+01
      6   0.422199D+01 -0.206833D+01  0.280946D+01 -0.215200D+02  0.128016D+02
               151           152           153           154           155 
      1  -0.295844D+01  0.626575D+01 -0.674295D+01  0.240549D+02 -0.396732D+01
      2   0.136327D+01  0.116748D+01 -0.264143D+01 -0.223706D+02  0.299300D+01
      3   0.159516D+01 -0.743324D+01  0.938438D+01 -0.168439D+01  0.974318D+00
      4   0.358076D+00 -0.494524D+01  0.423320D+01 -0.118944D+02  0.970539D+01
      5   0.438568D+01  0.291818D+01 -0.370365D+01 -0.385165D+02  0.902857D+01
      6  -0.164601D+01  0.107902D+02 -0.724243D+01  0.814035D+01 -0.671466D+01
               156           157           158           159           160 
      1  -0.790829D+01 -0.465989D+01  0.156663D-01 -0.746332D+00 -0.669549D+01
      2   0.182359D+02  0.377301D+01 -0.136383D+01 -0.340633D+01  0.139069D+02
      3  -0.103276D+02  0.886880D+00  0.134816D+01  0.415266D+01 -0.721139D+01
      4   0.727066D+01  0.836819D+01 -0.553411D+01 -0.736900D+01  0.527769D+01
      5   0.342675D+02  0.100806D+02 -0.814311D+01 -0.965316D+01  0.253525D+02
      6  -0.656547D+01 -0.540240D+01  0.448224D+01  0.824990D+01 -0.480858D+01
               161           162           163           164           165 
      1  -0.516928D+00  0.906695D+00 -0.105490D+02 -0.991638D+01 -0.142734D+02
      2  -0.188257D+01 -0.152694D+02  0.227826D+01  0.525905D+01  0.295379D+00
      3   0.239950D+01  0.143627D+02  0.827075D+01  0.465733D+01  0.139780D+02
      4  -0.494074D+01 -0.616161D+01  0.393224D+00 -0.166395D+01 -0.148012D+00
      5  -0.629015D+01 -0.267234D+02  0.743792D+01  0.425326D+01  0.303623D+01
      6   0.641648D+01  0.675501D+01  0.786331D+01  0.971307D+01  0.700169D+01
               166           167           168           169           170 
      1  -0.893434D+01 -0.133132D+02 -0.993332D+01 -0.749720D+01 -0.552316D+01
      2   0.488620D+01  0.798150D+01  0.184212D+00  0.722816D+00 -0.693475D-01
      3   0.404814D+01  0.533174D+01  0.974910D+01  0.677438D+01  0.559251D+01
      4   0.325267D+00 -0.189472D+01 -0.307483D+01  0.234948D+00 -0.193807D+01
      5   0.649062D+01  0.965683D+00 -0.203810D+01  0.627560D+01  0.111561D+00
      6   0.644687D+01  0.101862D+02  0.105300D+02  0.376466D+01  0.730523D+01
               171           172           173           174           175 
      1  -0.909055D+01  0.497307D+01 -0.460851D+01  0.343686D+01 -0.113376D+01
      2  -0.206057D+01 -0.184804D+01  0.229992D+01 -0.271309D+01  0.253702D+00
      3   0.111511D+02 -0.312503D+01  0.230859D+01 -0.723766D+00  0.880057D+00
      4  -0.144648D+01 -0.820522D+01  0.585381D+01 -0.379368D+01  0.383995D+01
      5   0.218903D+00  0.620762D+01 -0.225478D+01  0.104240D+02 -0.101179D+01
      6   0.640428D+01 -0.286735D+01  0.170224D+01 -0.501092D+01  0.183623D+01
               176           177           178           179           180 
      1  -0.341183D+01  0.290268D+01  0.549840D+01  0.496270D+01 -0.515925D+01
      2   0.307243D+01 -0.387507D+01 -0.393114D+01 -0.695746D+01 -0.737829D+01
      3   0.339402D+00  0.972384D+00 -0.156726D+01  0.199476D+01  0.125375D+02
      4  -0.242143D+01  0.521858D+01 -0.937567D+01  0.129708D+02 -0.138393D+02
      5   0.478351D+01 -0.354697D+01  0.154845D+02 -0.109114D+02  0.373564D+02
      6  -0.447288D+01  0.824443D+01 -0.869667D+01  0.131136D+02 -0.291549D+02
               181           182           183           184           185 
      1  -0.137423D+02 -0.238136D+02 -0.526812D+01 -0.148640D+02 -0.259709D+02
      2   0.142878D+02  0.284000D+02  0.396549D+01  0.147101D+02  0.352780D+02
      3  -0.545415D+00 -0.458647D+01  0.130262D+01  0.153950D+00 -0.930711D+01
      4   0.526994D+01 -0.155724D+01  0.236850D+01  0.575158D+01 -0.738551D+01
      5  -0.290754D+01 -0.724808D+00 -0.156144D+01 -0.102383D+01 -0.292927D+01
      6   0.304430D+01  0.152412D+01  0.551517D+01  0.915526D+00  0.327047D+01
               186           187           188           189           190 
      1  -0.418163D+01 -0.555576D+01 -0.553241D+01 -0.534274D+01  0.426865D+02
      2   0.533923D+01  0.293079D+01  0.817822D+01  0.439369D+01 -0.111953D+02
      3  -0.115760D+01  0.262497D+01 -0.264581D+01  0.949047D+00 -0.314912D+02
      4  -0.129680D+01  0.370082D+01 -0.411981D+01 -0.209806D+01 -0.454625D+02
      5  -0.338730D+01  0.133700D+01 -0.325746D+01  0.843293D+00 -0.140106D+02
      6   0.649808D+01  0.168745D+01  0.703852D+01  0.173446D+01  0.888581D+01
               191           192           193           194           195 
      1  -0.148078D+02 -0.111864D+02 -0.113780D+02  0.352940D+01  0.110974D+01
      2  -0.250696D+01  0.399663D+01 -0.110559D+01  0.802633D+01  0.297563D+01
      3   0.173148D+02  0.718975D+01  0.124836D+02 -0.115557D+02 -0.408537D+01
      4   0.308066D+02  0.121197D+02  0.219489D+02 -0.190603D+02 -0.770349D+01
      5   0.580378D+01  0.136826D+02  0.476934D+01 -0.541638D+01 -0.439536D+01
      6  -0.499108D+01 -0.911109D+01 -0.366661D+01  0.508017D+01  0.518721D+01
               196           197           198           199           200 
      1  -0.157149D+02  0.275972D+01  0.654429D+01 -0.897796D+00 -0.189136D+01
      2   0.418869D+01  0.542379D+01 -0.306194D+01  0.160023D+01  0.165110D+01
      3   0.115262D+02 -0.818351D+01 -0.348234D+01 -0.702435D+00  0.240267D+00
      4   0.201548D+02 -0.166165D+02 -0.125215D+02 -0.162324D+01  0.166209D+01
      5   0.142804D+02 -0.809179D+01 -0.975063D+01  0.287976D+01 -0.133145D+01
      6  -0.974728D+01  0.731504D+01  0.642283D+01  0.504552D-01  0.355032D+00
               201           202           203           204           205 
      1   0.177054D+01 -0.273549D+01 -0.290742D+01  0.570513D+01  0.396827D+01
      2  -0.127991D+01 -0.132046D+01  0.360677D+01 -0.311297D+01 -0.337065D+01
      3  -0.490627D+00  0.405595D+01 -0.699341D+00 -0.259216D+01 -0.597617D+00
      4  -0.199994D+01  0.176003D+01 -0.212575D+01  0.316163D+01 -0.226543D+01
      5   0.372180D+01 -0.117558D+01  0.145916D+01 -0.247337D+01  0.378970D+01
      6  -0.300370D+00  0.244812D+00 -0.435558D+01  0.370582D+01 -0.781575D+00
               206           207           208           209           210 
      1   0.629542D+01 -0.661609D+01  0.258826D+00  0.169124D+01 -0.274062D+01
      2  -0.535566D+01  0.131389D+01 -0.140181D+01 -0.849346D+00  0.566203D+00
      3  -0.939754D+00  0.530220D+01  0.114298D+01 -0.841897D+00  0.217442D+01
      4   0.371315D+01 -0.436534D+01  0.184413D+01  0.244681D+01 -0.226947D+01
      5  -0.362279D+01  0.545238D+01 -0.253786D+01 -0.255220D+01  0.518990D+01
      6   0.424696D+01 -0.642867D+01 -0.246731D+01  0.896826D-01  0.335020D+00
               211           212           213           214           215 
      1   0.326122D+01 -0.896773D+01  0.101459D+02 -0.337927D+01  0.964507D+01
      2  -0.401505D+01  0.400222D+01 -0.775632D+00  0.183218D+01 -0.261490D+01
      3   0.753830D+00  0.496551D+01 -0.937024D+01  0.154708D+01 -0.703016D+01
      4   0.509924D+00  0.553213D+01 -0.542598D+01 -0.288994D+01 -0.556483D+01
      5  -0.378881D+01 -0.658386D+01  0.970896D+01  0.374675D+01  0.772655D+01
      6  -0.104224D+00 -0.777361D+01  0.807329D+01  0.168831D+01  0.913825D+01
               216           217           218           219           220 
      1  -0.210309D+02  0.328966D+01 -0.868063D+01  0.452812D+01 -0.113797D+02
      2  -0.332883D+01  0.258424D+00  0.752186D+01 -0.884899D+00  0.511951D+01
      3   0.243598D+02 -0.354808D+01  0.115876D+01 -0.364323D+01  0.626020D+01
      4   0.663313D+01 -0.274478D+01 -0.363036D+01  0.144627D+01  0.798322D+01
      5  -0.184709D+02  0.443142D+00 -0.807204D-01 -0.404053D+01 -0.692747D+01
      6  -0.110718D+02 -0.125294D+01 -0.303909D+01  0.166129D+01  0.154274D+01
               221           222           223           224           225 
      1  -0.206282D+02  0.178122D+01  0.228313D+01  0.816000D+00 -0.605272D+01
      2   0.327556D+02 -0.784366D+00 -0.119983D+01  0.236492D+01  0.247678D+01
      3  -0.121274D+02 -0.996855D+00 -0.108330D+01 -0.318092D+01  0.357594D+01
      4  -0.463280D+02  0.634651D+01  0.212049D+01 -0.286077D+01 -0.288708D+01
      5   0.400331D+01 -0.102440D+02  0.214766D+00 -0.304531D+01  0.138027D+01
      6  -0.158944D+02  0.761617D+01  0.248929D+00  0.477520D+01 -0.660718D+00
               226           227           228           229           230 
      1  -0.497195D+01  0.373006D+01  0.166359D+02  0.586742D+01 -0.895177D+01
      2  -0.151479D+01 -0.445167D-01  0.978965D+00 -0.262734D+01  0.364676D+01
      3   0.648674D+01 -0.368554D+01 -0.176149D+02 -0.324007D+01  0.530500D+01
      4   0.399619D+01 -0.571437D+01 -0.832287D+00 -0.120879D+01  0.152531D+01
      5   0.665171D+00  0.794140D+00 -0.100076D+02  0.260420D+01  0.460426D+01
      6   0.137405D+01 -0.357356D+01 -0.559344D+00 -0.143516D+01  0.293657D+01
               231           232           233           234           235 
      1  -0.687157D+01  0.173417D+02 -0.500340D+01 -0.244745D+02  0.837902D+02
      2  -0.397783D+01 -0.575545D+01 -0.150402D+01 -0.970169D+01 -0.466147D+02
      3   0.108494D+02 -0.115863D+02  0.650742D+01  0.341762D+02 -0.371755D+02
      4   0.613086D+01 -0.409850D+01  0.751287D+01  0.578055D+01 -0.135810D+02
      5   0.110601D+02  0.256289D+01  0.401664D+01  0.270501D+02  0.420171D+02
      6   0.647965D+01 -0.105317D+01  0.552508D+01  0.204668D+01 -0.127284D+01
               236           237           238           239           240 
      1  -0.362326D+01  0.213179D+02  0.481213D+01  0.599834D+01  0.126211D+01
      2   0.539999D+00 -0.157136D+02 -0.336896D+01 -0.156223D+01 -0.193825D+01
      3   0.308326D+01 -0.560429D+01 -0.144317D+01 -0.443612D+01  0.676147D+00
      4   0.131781D+02 -0.366765D+01  0.100349D+02 -0.260985D+01  0.340076D+01
      5  -0.196955D+01  0.244710D+02  0.301566D+01  0.436881D+01  0.335020D+01
      6   0.398243D+01 -0.181166D+01  0.348075D+01 -0.575098D+00  0.221182D+01
               241           242           243 
      1   0.118434D+02 -0.487367D+00  0.856906D+01
      2  -0.991185D+01 -0.267651D+00 -0.908113D+01
      3  -0.193151D+01  0.755018D+00  0.512064D+00
      4  -0.164087D+01  0.195338D+01 -0.341026D+00
      5   0.172893D+02  0.358692D+00  0.125849D+02
      6  -0.194176D+01  0.185805D+01 -0.519806D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x         -0.142079D+01     -0.361129D+01     -0.120460D+02
   y         -0.559810D+00     -0.142290D+01     -0.474627D+01
   z          0.592931D+00      0.150708D+01      0.502708D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.160911D+03      0.238446D+02      0.265307D+02
   yx         0.713297D+01      0.105700D+01      0.117607D+01
   yy         0.105896D+03      0.156922D+02      0.174600D+02
   zx        -0.302959D+01     -0.448939D+00     -0.499512D+00
   zy        -0.433052D+01     -0.641716D+00     -0.714006D+00
   zz         0.107218D+03      0.158881D+02      0.176779D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132899D+03      0.196936D+02      0.219120D+02
   aniso      0.616543D+02      0.913623D+01      0.101654D+02
   xx         0.172243D+03      0.255238D+02      0.283990D+02
   yx         0.819513D+01      0.121439D+01      0.135119D+01
   yy         0.112618D+03      0.166882D+02      0.185681D+02
   zx        -0.405121D+01     -0.600327D+00     -0.667954D+00
   zy        -0.470849D+01     -0.697726D+00     -0.776324D+00
   zz         0.113836D+03      0.168687D+02      0.187690D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.18569029          2.26617479          3.86341438
     6         -1.52478087          1.59859844          3.15051310
     6         -1.70558151         -0.57666835          1.11415937
     6          0.38071603         -0.92563591         -0.71285071
     6          0.14955821         -0.75020823         -3.22088673
     6          2.22498990         -1.06106902         -5.05935212
     8          1.80303493         -0.84461916         -7.30959806
     6         -3.02243252          3.96209596          2.51982184
     6         -2.72578551         -0.26616487          5.07796658
     6         -2.01488489         -2.48410643          3.32041013
     6          4.86277604         -1.64476468         -4.11112344
     1         -4.76685194         -0.01211955          5.21203914
     1         -1.93490783         -0.26780779          6.98037607
     1         -3.49093476         -0.37252728          0.10074277
     1         -0.21510625         -3.34407215          3.83834488
     1         -3.39927397         -3.98214511          3.04978770
     1          2.29468081          0.59672405          4.35131083
     1          1.19161723          3.51705057          5.50527855
     1          2.14671852          3.24160540          2.31904974
     1         -4.97617711          3.50182413          2.04331605
     1         -2.18976920          4.95447003          0.91073270
     1         -3.04816671          5.26681751          4.12150466
     1          2.22352179         -1.33801290          0.08955930
     1         -1.67030631         -0.34625291         -4.07562234
     1          4.88478415         -3.40901752         -3.04108840
     1          5.53920061         -0.15172936         -2.85746655
     1          6.12509274         -1.80735402         -5.72352153

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163817D+01      0.416382D+01      0.138890D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.115809D+03      0.171612D+02      0.190944D+02
   yx        -0.471416D+01     -0.698566D+00     -0.777259D+00
   yy         0.103563D+03      0.153464D+02      0.170752D+02
   zx        -0.172788D+02     -0.256045D+01     -0.284888D+01
   zy         0.563065D+01      0.834377D+00      0.928369D+00
   zz         0.154654D+03      0.229174D+02      0.254990D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132899D+03      0.196936D+02      0.219120D+02
   aniso      0.616543D+02      0.913623D+01      0.101654D+02
   xx         0.122519D+03      0.181554D+02      0.202006D+02
   yx        -0.494413D+01     -0.732644D+00     -0.815176D+00
   yy         0.109983D+03      0.162978D+02      0.181337D+02
   zx        -0.183189D+02     -0.271457D+01     -0.302037D+01
   zy         0.602712D+01      0.893127D+00      0.993738D+00
   zz         0.166194D+03      0.246275D+02      0.274017D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-M25-27-01\Freq\RLC-PBEPBE\Gen\C10H16O1\PIERPA\06-Oct-2021
 \0\\#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tig
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 THE RED LIGHT IS ALWAYS LONGER THAN THE GREEN LIGHT.

                     -- PETER'S THEORY OF RELATIVITY
 Job cpu time:       0 days 12 hours 30 minutes 22.8 seconds.
 Elapsed time:       0 days  1 hours 33 minutes 59.9 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Wed Oct  6 14:26:48 2021.
